2-(4-amino-2-chloropyrimidin-5-yl)-1-methoxyethanol;2-chloro-5-[(E)-2-methoxyethenyl]pyrimidin-4-amine;2-chloro-7H-pyrrolo[2,3-d]pyrimidine;5-iodo-2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;5-iodo-2-methoxy-7H-pyrrolo[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-7H-pyrrolo[2,3-d]pyrimidine

C127H120Cl3I2N33O37S6 — CID 158957309

IUPAC2-(4-amino-2-chloropyrimidin-5-yl)-1-methoxyethanol;2-chloro-5-[(E)-2-methoxyethenyl]pyrimidin-4-amine;2-chloro-7H-pyrrolo[2,3-d]pyrimidine;5-iodo-2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;5-iodo-2-methoxy-7H-pyrrolo[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-7H-pyrrolo[2,3-d]pyrimidine
SMILESCO/C=C/c1cnc(Cl)nc1N.COC(O)Cc1cnc(Cl)nc1N.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=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.COc1ccc(S(=O)(=O)n2cc(I)c3cnc(OC)nc32)cc1.COc1ncc2c(I)c[nH]c2n1.COc1ncc2cc[nH]c2n1.Clc1ncc2cc[nH]c2n1
InChIInChI=1S/C17H17N3O6S.C17H15N3O6S.C15H13N3O6S.C15H15N3O5S.C15H13N3O5S.C14H12IN3O4S.C7H10ClN3O2.C7H8ClN3O.C7H6IN3O.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;1-21-9-3-5-10(6-4-9)23(19,20)18-8-12(15)11-7-16-14(22-2)17-13(11)18;1-13-5(12)2-4-3-10-7(8)11-6(4)9;1-12-3-2-5-4-10-7(8)11-6(5)9;1-12-7-10-2-4-5(8)3-9-6(4)11-7;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;3-8H,1-2H3;3,5,12H,2H2,1H3,(H2,9,10,11);2-4H,1H3,(H2,9,10,11);2-3H,1H3,(H,9,10,11);2-4H,1H3,(H,8,9,10);1-3H,(H,8,9,10)/b;8-3+;;;;;;3-2+;;;
InChIKeyJMDZJZBYLXQGQQ-KQMRTJTISA-N
MW3253.12 g/mol
LogP15.53
Rot. Bonds39

About 2-(4-amino-2-chloropyrimidin-5-yl)-1-methoxyethanol;2-chloro-5-[(E)-2-methoxyethenyl]pyrimidin-4-amine;2-chloro-7H-pyrrolo[2,3-d]pyrimidine;5-iodo-2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;5-iodo-2-methoxy-7H-pyrrolo[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-7H-pyrrolo[2,3-d]pyrimidine

2-(4-amino-2-chloropyrimidin-5-yl)-1-methoxyethanol;2-chloro-5-[(E)-2-methoxyethenyl]pyrimidin-4-amine;2-chloro-7H-pyrrolo[2,3-d]pyrimidine;5-iodo-2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;5-iodo-2-methoxy-7H-pyrrolo[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-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 158957309) has the molecular formula C127H120Cl3I2N33O37S6 and a molecular weight of 3253.12 g/mol. Its IUPAC name is 2-(4-amino-2-chloropyrimidin-5-yl)-1-methoxyethanol;2-chloro-5-[(E)-2-methoxyethenyl]pyrimidin-4-amine;2-chloro-7H-pyrrolo[2,3-d]pyrimidine;5-iodo-2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;5-iodo-2-methoxy-7H-pyrrolo[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-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-(4-amino-2-chloropyrimidin-5-yl)-1-methoxyethanol;2-chloro-5-[(E)-2-methoxyethenyl]pyrimidin-4-amine;2-chloro-7H-pyrrolo[2,3-d]pyrimidine;5-iodo-2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;5-iodo-2-methoxy-7H-pyrrolo[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-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID158957309
Molecular FormulaC127H120Cl3I2N33O37S6
Molecular Weight3253.12 g/mol
Exact Mass3249.40
IUPAC Name2-(4-amino-2-chloropyrimidin-5-yl)-1-methoxyethanol;2-chloro-5-[(E)-2-methoxyethenyl]pyrimidin-4-amine;2-chloro-7H-pyrrolo[2,3-d]pyrimidine;5-iodo-2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;5-iodo-2-methoxy-7H-pyrrolo[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-7H-pyrrolo[2,3-d]pyrimidine
SMILESCO/C=C/c1cnc(Cl)nc1N.COC(O)Cc1cnc(Cl)nc1N.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=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.COc1ccc(S(=O)(=O)n2cc(I)c3cnc(OC)nc32)cc1.COc1ncc2c(I)c[nH]c2n1.COc1ncc2cc[nH]c2n1.Clc1ncc2cc[nH]c2n1
InChIInChI=1S/C17H17N3O6S.C17H15N3O6S.C15H13N3O6S.C15H15N3O5S.C15H13N3O5S.C14H12IN3O4S.C7H10ClN3O2.C7H8ClN3O.C7H6IN3O.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;1-21-9-3-5-10(6-4-9)23(19,20)18-8-12(15)11-7-16-14(22-2)17-13(11)18;1-13-5(12)2-4-3-10-7(8)11-6(4)9;1-12-3-2-5-4-10-7(8)11-6(5)9;1-12-7-10-2-4-5(8)3-9-6(4)11-7;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;3-8H,1-2H3;3,5,12H,2H2,1H3,(H2,9,10,11);2-4H,1H3,(H2,9,10,11);2-3H,1H3,(H,9,10,11);2-4H,1H3,(H,8,9,10);1-3H,(H,8,9,10)/b;8-3+;;;;;;3-2+;;;
InChIKeyJMDZJZBYLXQGQQ-KQMRTJTISA-N
XLogP15.53
TPSA934.52 Ų
H-Bond Donors10
H-Bond Acceptors64
Rotatable Bonds39
Heavy Atoms208
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003253.12
LogP ≤ 515.53
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1064

Computed Properties (RDKit)

Structural Alerts{'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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(4-amino-2-chloropyrimidin-5-yl)-1-methoxyethanol;2-chloro-5-[(E)-2-methoxyethenyl]pyrimidin-4-amine;2-chloro-7H-pyrrolo[2,3-d]pyrimidine;5-iodo-2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;5-iodo-2-methoxy-7H-pyrrolo[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-7H-pyrrolo[2,3-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-chloropyrimidin-5-yl)-1-methoxyethanol;2-chloro-5-[(E)-2-methoxyethenyl]pyrimidin-4-amine;2-chloro-7H-pyrrolo[2,3-d]pyrimidine;5-iodo-2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;5-iodo-2-methoxy-7H-pyrrolo[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-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2-(4-amino-2-chloropyrimidin-5-yl)-1-methoxyethanol;2-chloro-5-[(E)-2-methoxyethenyl]pyrimidin-4-amine;2-chloro-7H-pyrrolo[2,3-d]pyrimidine;5-iodo-2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;5-iodo-2-methoxy-7H-pyrrolo[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-7H-pyrrolo[2,3-d]pyrimidine (CID 158957309) is 2-(4-amino-2-chloropyrimidin-5-yl)-1-methoxyethanol;2-chloro-5-[(E)-2-methoxyethenyl]pyrimidin-4-amine;2-chloro-7H-pyrrolo[2,3-d]pyrimidine;5-iodo-2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;5-iodo-2-methoxy-7H-pyrrolo[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-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2-(4-amino-2-chloropyrimidin-5-yl)-1-methoxyethanol;2-chloro-5-[(E)-2-methoxyethenyl]pyrimidin-4-amine;2-chloro-7H-pyrrolo[2,3-d]pyrimidine;5-iodo-2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;5-iodo-2-methoxy-7H-pyrrolo[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-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2-(4-amino-2-chloropyrimidin-5-yl)-1-methoxyethanol;2-chloro-5-[(E)-2-methoxyethenyl]pyrimidin-4-amine;2-chloro-7H-pyrrolo[2,3-d]pyrimidine;5-iodo-2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;5-iodo-2-methoxy-7H-pyrrolo[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-7H-pyrrolo[2,3-d]pyrimidine is CO/C=C/c1cnc(Cl)nc1N.COC(O)Cc1cnc(Cl)nc1N.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=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.COc1ccc(S(=O)(=O)n2cc(I)c3cnc(OC)nc32)cc1.COc1ncc2c(I)c[nH]c2n1.COc1ncc2cc[nH]c2n1.Clc1ncc2cc[nH]c2n1.
What is the InChIKey of 2-(4-amino-2-chloropyrimidin-5-yl)-1-methoxyethanol;2-chloro-5-[(E)-2-methoxyethenyl]pyrimidin-4-amine;2-chloro-7H-pyrrolo[2,3-d]pyrimidine;5-iodo-2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;5-iodo-2-methoxy-7H-pyrrolo[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-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is JMDZJZBYLXQGQQ-KQMRTJTISA-N. The full InChI is InChI=1S/C17H17N3O6S.C17H15N3O6S.C15H13N3O6S.C15H15N3O5S.C15H13N3O5S.C14H12IN3O4S.C7H10ClN3O2.C7H8ClN3O.C7H6IN3O.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;1-21-9-3-5-10(6-4-9)23(19,20)18-8-12(15)11-7-16-14(22-2)17-13(11)18;1-13-5(12)2-4-3-10-7(8)11-6(4)9;1-12-3-2-5-4-10-7(8)11-6(5)9;1-12-7-10-2-4-5(8)3-9-6(4)11-7;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;3-8H,1-2H3;3,5,12H,2H2,1H3,(H2,9,10,11);2-4H,1H3,(H2,9,10,11);2-3H,1H3,(H,9,10,11);2-4H,1H3,(H,8,9,10);1-3H,(H,8,9,10)/b;8-3+;;;;;;3-2+;;;.
What are the key properties of 2-(4-amino-2-chloropyrimidin-5-yl)-1-methoxyethanol;2-chloro-5-[(E)-2-methoxyethenyl]pyrimidin-4-amine;2-chloro-7H-pyrrolo[2,3-d]pyrimidine;5-iodo-2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;5-iodo-2-methoxy-7H-pyrrolo[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-7H-pyrrolo[2,3-d]pyrimidine?
2-(4-amino-2-chloropyrimidin-5-yl)-1-methoxyethanol;2-chloro-5-[(E)-2-methoxyethenyl]pyrimidin-4-amine;2-chloro-7H-pyrrolo[2,3-d]pyrimidine;5-iodo-2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;5-iodo-2-methoxy-7H-pyrrolo[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-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 3253.12 g/mol, XLogP of 15.53, 39 rotatable bonds, 10 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-chloropyrimidin-5-yl)-1-methoxyethanol;2-chloro-5-[(E)-2-methoxyethenyl]pyrimidin-4-amine;2-chloro-7H-pyrrolo[2,3-d]pyrimidine;5-iodo-2-methoxy-7-(4-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;5-iodo-2-methoxy-7H-pyrrolo[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-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 158957309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).