2-chloro-5-(2,2-dimethoxyethyl)pyrimidin-4-amine;2-chloro-5-[(E)-2-ethoxyethenyl]pyridin-4-amine;2-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-methoxy-7-(4-methoxyphenyl)sulfonyl-5-methylpyrrolo[2,3-d]pyrimidine;2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde;2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-5-carboxylic acid;[2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-5-yl]methanol;3-[2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-5-yl]propanoic acid;(E)-3-[2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-5-yl]prop-2-enoic acid;2-methoxy-5-methyl-7H-pyrrolo[2,3-d]pyrimidine;2-methoxy-7H-pyrrolo[2,3-d]pyrimidine

C132H131Cl3N32O37S6 — CID 159723304

IUPAC2-chloro-5-(2,2-dimethoxyethyl)pyrimidin-4-amine;2-chloro-5-[(E)-2-ethoxyethenyl]pyridin-4-amine;2-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-methoxy-7-(4-methoxyphenyl)sulfonyl-5-methylpyrrolo[2,3-d]pyrimidine;2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde;2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-5-carboxylic acid;[2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-5-yl]methanol;3-[2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-5-yl]propanoic acid;(E)-3-[2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-5-yl]prop-2-enoic acid;2-methoxy-5-methyl-7H-pyrrolo[2,3-d]pyrimidine;2-methoxy-7H-pyrrolo[2,3-d]pyrimidine
SMILESCCO/C=C/c1cnc(Cl)cc1N.COC(Cc1cnc(Cl)nc1N)OC.COc1ccc(S(=O)(=O)n2cc(/C=C/C(=O)O)c3cnc(OC)nc32)cc1.COc1ccc(S(=O)(=O)n2cc(C(=O)O)c3cnc(OC)nc32)cc1.COc1ccc(S(=O)(=O)n2cc(C)c3cnc(OC)nc32)cc1.COc1ccc(S(=O)(=O)n2cc(C=O)c3cnc(OC)nc32)cc1.COc1ccc(S(=O)(=O)n2cc(CCC(=O)O)c3cnc(OC)nc32)cc1.COc1ccc(S(=O)(=O)n2cc(CO)c3cnc(OC)nc32)cc1.COc1ncc2c(C)c[nH]c2n1.COc1ncc2cc[nH]c2n1.Clc1ncc2cc[nH]c2n1
InChIInChI=1S/C17H17N3O6S.C17H15N3O6S.C15H13N3O6S.C15H15N3O5S.C15H13N3O5S.C15H15N3O4S.C9H11ClN2O.C8H12ClN3O2.C8H9N3O.C7H7N3O.C6H4ClN3/c2*1-25-12-4-6-13(7-5-12)27(23,24)20-10-11(3-8-15(21)22)14-9-18-17(26-2)19-16(14)20;1-23-9-3-5-10(6-4-9)25(21,22)18-8-12(14(19)20)11-7-16-15(24-2)17-13(11)18;2*1-22-11-3-5-12(6-4-11)24(20,21)18-8-10(9-19)13-7-16-15(23-2)17-14(13)18;1-10-9-18(14-13(10)8-16-15(17-14)22-3)23(19,20)12-6-4-11(21-2)5-7-12;1-2-13-4-3-7-6-12-9(10)5-8(7)11;1-13-6(14-2)3-5-4-11-8(9)12-7(5)10;1-5-3-9-7-6(5)4-10-8(11-7)12-2;1-11-7-9-4-5-2-3-8-6(5)10-7;7-6-9-3-4-1-2-8-5(4)10-6/h4-7,9-10H,3,8H2,1-2H3,(H,21,22);3-10H,1-2H3,(H,21,22);3-8H,1-2H3,(H,19,20);3-8,19H,9H2,1-2H3;3-9H,1-2H3;4-9H,1-3H3;3-6H,2H2,1H3,(H2,11,12);4,6H,3H2,1-2H3,(H2,10,11,12);3-4H,1-2H3,(H,9,10,11);2-4H,1H3,(H,8,9,10);1-3H,(H,8,9,10)/b;8-3+;;;;;4-3+;;;;
InChIKeyNAHXOGWHXWCNPY-VGBAQPHFSA-N
MW3056.45 g/mol
LogP16.59
Rot. Bonds41

About 2-chloro-5-(2,2-dimethoxyethyl)pyrimidin-4-amine;2-chloro-5-[(E)-2-ethoxyethenyl]pyridin-4-amine;2-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-methoxy-7-(4-methoxyphenyl)sulfonyl-5-methylpyrrolo[2,3-d]pyrimidine;2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde;2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-5-carboxylic acid;[2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-5-yl]methanol;3-[2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-5-yl]propanoic acid;(E)-3-[2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-5-yl]prop-2-enoic acid;2-methoxy-5-methyl-7H-pyrrolo[2,3-d]pyrimidine;2-methoxy-7H-pyrrolo[2,3-d]pyrimidine

2-chloro-5-(2,2-dimethoxyethyl)pyrimidin-4-amine;2-chloro-5-[(E)-2-ethoxyethenyl]pyridin-4-amine;2-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-methoxy-7-(4-methoxyphenyl)sulfonyl-5-methylpyrrolo[2,3-d]pyrimidine;2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde;2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-5-carboxylic acid;[2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-5-yl]methanol;3-[2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-5-yl]propanoic acid;(E)-3-[2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-5-yl]prop-2-enoic acid;2-methoxy-5-methyl-7H-pyrrolo[2,3-d]pyrimidine;2-methoxy-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 159723304) has the molecular formula C132H131Cl3N32O37S6 and a molecular weight of 3056.45 g/mol. Its IUPAC name is 2-chloro-5-(2,2-dimethoxyethyl)pyrimidin-4-amine;2-chloro-5-[(E)-2-ethoxyethenyl]pyridin-4-amine;2-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-methoxy-7-(4-methoxyphenyl)sulfonyl-5-methylpyrrolo[2,3-d]pyrimidine;2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde;2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-5-carboxylic acid;[2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-5-yl]methanol;3-[2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-5-yl]propanoic acid;(E)-3-[2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-5-yl]prop-2-enoic acid;2-methoxy-5-methyl-7H-pyrrolo[2,3-d]pyrimidine;2-methoxy-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-5-(2,2-dimethoxyethyl)pyrimidin-4-amine;2-chloro-5-[(E)-2-ethoxyethenyl]pyridin-4-amine;2-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-methoxy-7-(4-methoxyphenyl)sulfonyl-5-methylpyrrolo[2,3-d]pyrimidine;2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde;2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-5-carboxylic acid;[2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-5-yl]methanol;3-[2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-5-yl]propanoic acid;(E)-3-[2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-5-yl]prop-2-enoic acid;2-methoxy-5-methyl-7H-pyrrolo[2,3-d]pyrimidine;2-methoxy-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID159723304
Molecular FormulaC132H131Cl3N32O37S6
Molecular Weight3056.45 g/mol
Exact Mass3052.67
IUPAC Name2-chloro-5-(2,2-dimethoxyethyl)pyrimidin-4-amine;2-chloro-5-[(E)-2-ethoxyethenyl]pyridin-4-amine;2-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-methoxy-7-(4-methoxyphenyl)sulfonyl-5-methylpyrrolo[2,3-d]pyrimidine;2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde;2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-5-carboxylic acid;[2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-5-yl]methanol;3-[2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-5-yl]propanoic acid;(E)-3-[2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-5-yl]prop-2-enoic acid;2-methoxy-5-methyl-7H-pyrrolo[2,3-d]pyrimidine;2-methoxy-7H-pyrrolo[2,3-d]pyrimidine
SMILESCCO/C=C/c1cnc(Cl)cc1N.COC(Cc1cnc(Cl)nc1N)OC.COc1ccc(S(=O)(=O)n2cc(/C=C/C(=O)O)c3cnc(OC)nc32)cc1.COc1ccc(S(=O)(=O)n2cc(C(=O)O)c3cnc(OC)nc32)cc1.COc1ccc(S(=O)(=O)n2cc(C)c3cnc(OC)nc32)cc1.COc1ccc(S(=O)(=O)n2cc(C=O)c3cnc(OC)nc32)cc1.COc1ccc(S(=O)(=O)n2cc(CCC(=O)O)c3cnc(OC)nc32)cc1.COc1ccc(S(=O)(=O)n2cc(CO)c3cnc(OC)nc32)cc1.COc1ncc2c(C)c[nH]c2n1.COc1ncc2cc[nH]c2n1.Clc1ncc2cc[nH]c2n1
InChIInChI=1S/C17H17N3O6S.C17H15N3O6S.C15H13N3O6S.C15H15N3O5S.C15H13N3O5S.C15H15N3O4S.C9H11ClN2O.C8H12ClN3O2.C8H9N3O.C7H7N3O.C6H4ClN3/c2*1-25-12-4-6-13(7-5-12)27(23,24)20-10-11(3-8-15(21)22)14-9-18-17(26-2)19-16(14)20;1-23-9-3-5-10(6-4-9)25(21,22)18-8-12(14(19)20)11-7-16-15(24-2)17-13(11)18;2*1-22-11-3-5-12(6-4-11)24(20,21)18-8-10(9-19)13-7-16-15(23-2)17-14(13)18;1-10-9-18(14-13(10)8-16-15(17-14)22-3)23(19,20)12-6-4-11(21-2)5-7-12;1-2-13-4-3-7-6-12-9(10)5-8(7)11;1-13-6(14-2)3-5-4-11-8(9)12-7(5)10;1-5-3-9-7-6(5)4-10-8(11-7)12-2;1-11-7-9-4-5-2-3-8-6(5)10-7;7-6-9-3-4-1-2-8-5(4)10-6/h4-7,9-10H,3,8H2,1-2H3,(H,21,22);3-10H,1-2H3,(H,21,22);3-8H,1-2H3,(H,19,20);3-8,19H,9H2,1-2H3;3-9H,1-2H3;4-9H,1-3H3;3-6H,2H2,1H3,(H2,11,12);4,6H,3H2,1-2H3,(H2,10,11,12);3-4H,1-2H3,(H,9,10,11);2-4H,1H3,(H,8,9,10);1-3H,(H,8,9,10)/b;8-3+;;;;;4-3+;;;;
InChIKeyNAHXOGWHXWCNPY-VGBAQPHFSA-N
XLogP16.59
TPSA910.63 Ų
H-Bond Donors9
H-Bond Acceptors63
Rotatable Bonds41
Heavy Atoms210
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003056.45
LogP ≤ 516.59
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1063

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-chloro-5-(2,2-dimethoxyethyl)pyrimidin-4-amine;2-chloro-5-[(E)-2-ethoxyethenyl]pyridin-4-amine;2-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-methoxy-7-(4-methoxyphenyl)sulfonyl-5-methylpyrrolo[2,3-d]pyrimidine;2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde;2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-5-carboxylic acid;[2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-5-yl]methanol;3-[2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-5-yl]propanoic acid;(E)-3-[2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-5-yl]prop-2-enoic acid;2-methoxy-5-methyl-7H-pyrrolo[2,3-d]pyrimidine;2-methoxy-7H-pyrrolo[2,3-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2,2-dimethoxyethyl)pyrimidin-4-amine;2-chloro-5-[(E)-2-ethoxyethenyl]pyridin-4-amine;2-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-methoxy-7-(4-methoxyphenyl)sulfonyl-5-methylpyrrolo[2,3-d]pyrimidine;2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde;2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-5-carboxylic acid;[2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-5-yl]methanol;3-[2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-5-yl]propanoic acid;(E)-3-[2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-5-yl]prop-2-enoic acid;2-methoxy-5-methyl-7H-pyrrolo[2,3-d]pyrimidine;2-methoxy-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-5-(2,2-dimethoxyethyl)pyrimidin-4-amine;2-chloro-5-[(E)-2-ethoxyethenyl]pyridin-4-amine;2-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-methoxy-7-(4-methoxyphenyl)sulfonyl-5-methylpyrrolo[2,3-d]pyrimidine;2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde;2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-5-carboxylic acid;[2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-5-yl]methanol;3-[2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-5-yl]propanoic acid;(E)-3-[2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-5-yl]prop-2-enoic acid;2-methoxy-5-methyl-7H-pyrrolo[2,3-d]pyrimidine;2-methoxy-7H-pyrrolo[2,3-d]pyrimidine (CID 159723304) is 2-chloro-5-(2,2-dimethoxyethyl)pyrimidin-4-amine;2-chloro-5-[(E)-2-ethoxyethenyl]pyridin-4-amine;2-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-methoxy-7-(4-methoxyphenyl)sulfonyl-5-methylpyrrolo[2,3-d]pyrimidine;2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde;2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-5-carboxylic acid;[2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-5-yl]methanol;3-[2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-5-yl]propanoic acid;(E)-3-[2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-5-yl]prop-2-enoic acid;2-methoxy-5-methyl-7H-pyrrolo[2,3-d]pyrimidine;2-methoxy-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-5-(2,2-dimethoxyethyl)pyrimidin-4-amine;2-chloro-5-[(E)-2-ethoxyethenyl]pyridin-4-amine;2-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-methoxy-7-(4-methoxyphenyl)sulfonyl-5-methylpyrrolo[2,3-d]pyrimidine;2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde;2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-5-carboxylic acid;[2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-5-yl]methanol;3-[2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-5-yl]propanoic acid;(E)-3-[2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-5-yl]prop-2-enoic acid;2-methoxy-5-methyl-7H-pyrrolo[2,3-d]pyrimidine;2-methoxy-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-5-(2,2-dimethoxyethyl)pyrimidin-4-amine;2-chloro-5-[(E)-2-ethoxyethenyl]pyridin-4-amine;2-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-methoxy-7-(4-methoxyphenyl)sulfonyl-5-methylpyrrolo[2,3-d]pyrimidine;2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde;2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-5-carboxylic acid;[2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-5-yl]methanol;3-[2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-5-yl]propanoic acid;(E)-3-[2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-5-yl]prop-2-enoic acid;2-methoxy-5-methyl-7H-pyrrolo[2,3-d]pyrimidine;2-methoxy-7H-pyrrolo[2,3-d]pyrimidine is CCO/C=C/c1cnc(Cl)cc1N.COC(Cc1cnc(Cl)nc1N)OC.COc1ccc(S(=O)(=O)n2cc(/C=C/C(=O)O)c3cnc(OC)nc32)cc1.COc1ccc(S(=O)(=O)n2cc(C(=O)O)c3cnc(OC)nc32)cc1.COc1ccc(S(=O)(=O)n2cc(C)c3cnc(OC)nc32)cc1.COc1ccc(S(=O)(=O)n2cc(C=O)c3cnc(OC)nc32)cc1.COc1ccc(S(=O)(=O)n2cc(CCC(=O)O)c3cnc(OC)nc32)cc1.COc1ccc(S(=O)(=O)n2cc(CO)c3cnc(OC)nc32)cc1.COc1ncc2c(C)c[nH]c2n1.COc1ncc2cc[nH]c2n1.Clc1ncc2cc[nH]c2n1.
What is the InChIKey of 2-chloro-5-(2,2-dimethoxyethyl)pyrimidin-4-amine;2-chloro-5-[(E)-2-ethoxyethenyl]pyridin-4-amine;2-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-methoxy-7-(4-methoxyphenyl)sulfonyl-5-methylpyrrolo[2,3-d]pyrimidine;2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde;2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-5-carboxylic acid;[2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-5-yl]methanol;3-[2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-5-yl]propanoic acid;(E)-3-[2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-5-yl]prop-2-enoic acid;2-methoxy-5-methyl-7H-pyrrolo[2,3-d]pyrimidine;2-methoxy-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is NAHXOGWHXWCNPY-VGBAQPHFSA-N. The full InChI is InChI=1S/C17H17N3O6S.C17H15N3O6S.C15H13N3O6S.C15H15N3O5S.C15H13N3O5S.C15H15N3O4S.C9H11ClN2O.C8H12ClN3O2.C8H9N3O.C7H7N3O.C6H4ClN3/c2*1-25-12-4-6-13(7-5-12)27(23,24)20-10-11(3-8-15(21)22)14-9-18-17(26-2)19-16(14)20;1-23-9-3-5-10(6-4-9)25(21,22)18-8-12(14(19)20)11-7-16-15(24-2)17-13(11)18;2*1-22-11-3-5-12(6-4-11)24(20,21)18-8-10(9-19)13-7-16-15(23-2)17-14(13)18;1-10-9-18(14-13(10)8-16-15(17-14)22-3)23(19,20)12-6-4-11(21-2)5-7-12;1-2-13-4-3-7-6-12-9(10)5-8(7)11;1-13-6(14-2)3-5-4-11-8(9)12-7(5)10;1-5-3-9-7-6(5)4-10-8(11-7)12-2;1-11-7-9-4-5-2-3-8-6(5)10-7;7-6-9-3-4-1-2-8-5(4)10-6/h4-7,9-10H,3,8H2,1-2H3,(H,21,22);3-10H,1-2H3,(H,21,22);3-8H,1-2H3,(H,19,20);3-8,19H,9H2,1-2H3;3-9H,1-2H3;4-9H,1-3H3;3-6H,2H2,1H3,(H2,11,12);4,6H,3H2,1-2H3,(H2,10,11,12);3-4H,1-2H3,(H,9,10,11);2-4H,1H3,(H,8,9,10);1-3H,(H,8,9,10)/b;8-3+;;;;;4-3+;;;;.
What are the key properties of 2-chloro-5-(2,2-dimethoxyethyl)pyrimidin-4-amine;2-chloro-5-[(E)-2-ethoxyethenyl]pyridin-4-amine;2-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-methoxy-7-(4-methoxyphenyl)sulfonyl-5-methylpyrrolo[2,3-d]pyrimidine;2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde;2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-5-carboxylic acid;[2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-5-yl]methanol;3-[2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-5-yl]propanoic acid;(E)-3-[2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-5-yl]prop-2-enoic acid;2-methoxy-5-methyl-7H-pyrrolo[2,3-d]pyrimidine;2-methoxy-7H-pyrrolo[2,3-d]pyrimidine?
2-chloro-5-(2,2-dimethoxyethyl)pyrimidin-4-amine;2-chloro-5-[(E)-2-ethoxyethenyl]pyridin-4-amine;2-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-methoxy-7-(4-methoxyphenyl)sulfonyl-5-methylpyrrolo[2,3-d]pyrimidine;2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde;2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-5-carboxylic acid;[2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-5-yl]methanol;3-[2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-5-yl]propanoic acid;(E)-3-[2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-5-yl]prop-2-enoic acid;2-methoxy-5-methyl-7H-pyrrolo[2,3-d]pyrimidine;2-methoxy-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 3056.45 g/mol, XLogP of 16.59, 41 rotatable bonds, 9 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2,2-dimethoxyethyl)pyrimidin-4-amine;2-chloro-5-[(E)-2-ethoxyethenyl]pyridin-4-amine;2-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-methoxy-7-(4-methoxyphenyl)sulfonyl-5-methylpyrrolo[2,3-d]pyrimidine;2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde;2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-5-carboxylic acid;[2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-5-yl]methanol;3-[2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-5-yl]propanoic acid;(E)-3-[2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-5-yl]prop-2-enoic acid;2-methoxy-5-methyl-7H-pyrrolo[2,3-d]pyrimidine;2-methoxy-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 159723304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).