[4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]methanol;5-(2-amino-6-ethylpyrimidin-4-yl)-1H-pyridin-2-one;6-[1-(4-chlorophenyl)sulfonylindol-3-yl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(4-methyl-1H-isoindol-5-yl)pyrimidin-2-amine;4-ethyl-6-(2-methylphenyl)pyrimidin-2-amine

C71H74ClN19O4S — CID 161439212

IUPAC[4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]methanol;5-(2-amino-6-ethylpyrimidin-4-yl)-1H-pyridin-2-one;6-[1-(4-chlorophenyl)sulfonylindol-3-yl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(4-methyl-1H-isoindol-5-yl)pyrimidin-2-amine;4-ethyl-6-(2-methylphenyl)pyrimidin-2-amine
SMILESCCc1cc(-c2ccc(=O)[nH]c2)nc(N)n1.CCc1cc(-c2ccc(CO)cc2)nc(N)n1.CCc1cc(-c2ccc3c(c2C)C=NC3)nc(N)n1.CCc1cc(-c2ccccc2C)nc(N)n1.CNc1cc(-c2cn(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc23)nc(N)n1
InChIInChI=1S/C19H16ClN5O2S.C15H16N4.C13H15N3O.C13H15N3.C11H12N4O/c1-22-18-10-16(23-19(21)24-18)15-11-25(17-5-3-2-4-14(15)17)28(26,27)13-8-6-12(20)7-9-13;1-3-11-6-14(19-15(16)18-11)12-5-4-10-7-17-8-13(10)9(12)2;1-2-11-7-12(16-13(14)15-11)10-5-3-9(8-17)4-6-10;1-3-10-8-12(16-13(14)15-10)11-7-5-4-6-9(11)2;1-2-8-5-9(15-11(12)14-8)7-3-4-10(16)13-6-7/h2-11H,1H3,(H3,21,22,23,24);4-6,8H,3,7H2,1-2H3,(H2,16,18,19);3-7,17H,2,8H2,1H3,(H2,14,15,16);4-8H,3H2,1-2H3,(H2,14,15,16);3-6H,2H2,1H3,(H,13,16)(H2,12,14,15)
InChIKeyVZAXHXCSYJMZFD-UHFFFAOYSA-N
MW1325.02 g/mol
LogP11.50
Rot. Bonds13

About [4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]methanol;5-(2-amino-6-ethylpyrimidin-4-yl)-1H-pyridin-2-one;6-[1-(4-chlorophenyl)sulfonylindol-3-yl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(4-methyl-1H-isoindol-5-yl)pyrimidin-2-amine;4-ethyl-6-(2-methylphenyl)pyrimidin-2-amine

[4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]methanol;5-(2-amino-6-ethylpyrimidin-4-yl)-1H-pyridin-2-one;6-[1-(4-chlorophenyl)sulfonylindol-3-yl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(4-methyl-1H-isoindol-5-yl)pyrimidin-2-amine;4-ethyl-6-(2-methylphenyl)pyrimidin-2-amine (PubChem CID 161439212) has the molecular formula C71H74ClN19O4S and a molecular weight of 1325.02 g/mol. Its IUPAC name is [4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]methanol;5-(2-amino-6-ethylpyrimidin-4-yl)-1H-pyridin-2-one;6-[1-(4-chlorophenyl)sulfonylindol-3-yl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(4-methyl-1H-isoindol-5-yl)pyrimidin-2-amine;4-ethyl-6-(2-methylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name[4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]methanol;5-(2-amino-6-ethylpyrimidin-4-yl)-1H-pyridin-2-one;6-[1-(4-chlorophenyl)sulfonylindol-3-yl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(4-methyl-1H-isoindol-5-yl)pyrimidin-2-amine;4-ethyl-6-(2-methylphenyl)pyrimidin-2-amine
PubChem CID161439212
Molecular FormulaC71H74ClN19O4S
Molecular Weight1325.02 g/mol
Exact Mass1323.56
IUPAC Name[4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]methanol;5-(2-amino-6-ethylpyrimidin-4-yl)-1H-pyridin-2-one;6-[1-(4-chlorophenyl)sulfonylindol-3-yl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(4-methyl-1H-isoindol-5-yl)pyrimidin-2-amine;4-ethyl-6-(2-methylphenyl)pyrimidin-2-amine
SMILESCCc1cc(-c2ccc(=O)[nH]c2)nc(N)n1.CCc1cc(-c2ccc(CO)cc2)nc(N)n1.CCc1cc(-c2ccc3c(c2C)C=NC3)nc(N)n1.CCc1cc(-c2ccccc2C)nc(N)n1.CNc1cc(-c2cn(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc23)nc(N)n1
InChIInChI=1S/C19H16ClN5O2S.C15H16N4.C13H15N3O.C13H15N3.C11H12N4O/c1-22-18-10-16(23-19(21)24-18)15-11-25(17-5-3-2-4-14(15)17)28(26,27)13-8-6-12(20)7-9-13;1-3-11-6-14(19-15(16)18-11)12-5-4-10-7-17-8-13(10)9(12)2;1-2-11-7-12(16-13(14)15-11)10-5-3-9(8-17)4-6-10;1-3-10-8-12(16-13(14)15-10)11-7-5-4-6-9(11)2;1-2-8-5-9(15-11(12)14-8)7-3-4-10(16)13-6-7/h2-11H,1H3,(H3,21,22,23,24);4-6,8H,3,7H2,1-2H3,(H2,16,18,19);3-7,17H,2,8H2,1H3,(H2,14,15,16);4-8H,3H2,1-2H3,(H2,14,15,16);3-6H,2H2,1H3,(H,13,16)(H2,12,14,15)
InChIKeyVZAXHXCSYJMZFD-UHFFFAOYSA-N
XLogP11.50
TPSA375.55 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds13
Heavy Atoms96
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001325.02
LogP ≤ 511.50
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Analyze [4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]methanol;5-(2-amino-6-ethylpyrimidin-4-yl)-1H-pyridin-2-one;6-[1-(4-chlorophenyl)sulfonylindol-3-yl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(4-methyl-1H-isoindol-5-yl)pyrimidin-2-amine;4-ethyl-6-(2-methylphenyl)pyrimidin-2-amine with MolForge

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Related Compounds

4-(2-amino-6-ethylpyrimidin-4-yl)phenol;[4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]methanol;6-[1-(4-chlorophenyl)sulfonylindol-3-yl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(4-methyl-1H-isoindol-5-yl)pyrimidin-2-amine;4-ethyl-6-(2-methylphenyl)pyrimidin-2-amine
CID 157858533
[5-(2-amino-6-ethylpyrimidin-4-yl)-2-pyridinyl]methanol;4-(3-chloro-4-pyridinyl)-6-ethylpyrimidin-2-amine;4-(cyclobutylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclobutyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-ethyl-6-(1H-inden-5-yl)pyrimidin-2-amine;4-ethyl-6-(3-methylphenyl)pyrimidin-2-amine
CID 158107883
[4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]methanol;5-(2-amino-6-ethylpyrimidin-4-yl)-1H-pyridin-2-one;6-[1-(4-chlorophenyl)sulfonylindol-3-yl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(4-methyl-1H-isoindol-5-yl)pyrimidin-2-amine;4-ethyl-6-(6-methyl-1H-isoindol-5-yl)pyrimidin-2-amine;4-ethyl-6-(2-methylphenyl)pyrimidin-2-amine
CID 158543073
[5-(2-amino-6-ethylpyrimidin-4-yl)-2-pyridinyl]methanol;4-(3-chloro-4-pyridinyl)-6-ethylpyrimidin-2-amine;4-(cyclobutylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclobutyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-(cyclopentylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclopentyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine
CID 158751059
[4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]methanol;5-(2-amino-6-ethylpyrimidin-4-yl)-1H-pyridin-2-one;6-[1-(4-chlorophenyl)sulfonylindol-3-yl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(3-methanimidoyl-2,4-dimethylphenyl)pyrimidin-2-amine;4-ethyl-6-(5-methanimidoyl-2,4-dimethylphenyl)pyrimidin-2-amine;4-ethyl-6-(2-methylphenyl)pyrimidin-2-amine
CID 159151705
[4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]methanol;6-[1-(4-chlorophenyl)sulfonylindol-3-yl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(1H-isoindol-5-yl)pyrimidin-2-amine;4-ethyl-6-(4-methyl-1H-isoindol-5-yl)pyrimidin-2-amine;4-ethyl-6-(6-methyl-1H-isoindol-5-yl)pyrimidin-2-amine;4-ethyl-6-(2-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(3-methylphenyl)pyrimidin-2-amine
CID 161384477
4-(2-amino-6-ethylpyrimidin-4-yl)-2-fluorophenol;4-(2-amino-6-ethylpyrimidin-4-yl)-2-methoxyphenol;[4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]methanol;5-(2-amino-6-ethylpyrimidin-4-yl)-1H-pyridin-2-one;6-[1-(4-chlorophenyl)sulfonylindol-3-yl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(2-methylphenyl)pyrimidin-2-amine
CID 161720192
[4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]methanol;6-[1-(4-chlorophenyl)sulfonylindol-3-yl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(1H-inden-5-yl)pyrimidin-2-amine;4-ethyl-6-(4-methyl-1H-isoindol-5-yl)pyrimidin-2-amine;4-ethyl-6-(6-methyl-1H-isoindol-5-yl)pyrimidin-2-amine;4-ethyl-6-(2-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(3-methylphenyl)pyrimidin-2-amine
CID 162231143

Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]methanol;5-(2-amino-6-ethylpyrimidin-4-yl)-1H-pyridin-2-one;6-[1-(4-chlorophenyl)sulfonylindol-3-yl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(4-methyl-1H-isoindol-5-yl)pyrimidin-2-amine;4-ethyl-6-(2-methylphenyl)pyrimidin-2-amine?
The IUPAC name of [4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]methanol;5-(2-amino-6-ethylpyrimidin-4-yl)-1H-pyridin-2-one;6-[1-(4-chlorophenyl)sulfonylindol-3-yl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(4-methyl-1H-isoindol-5-yl)pyrimidin-2-amine;4-ethyl-6-(2-methylphenyl)pyrimidin-2-amine (CID 161439212) is [4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]methanol;5-(2-amino-6-ethylpyrimidin-4-yl)-1H-pyridin-2-one;6-[1-(4-chlorophenyl)sulfonylindol-3-yl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(4-methyl-1H-isoindol-5-yl)pyrimidin-2-amine;4-ethyl-6-(2-methylphenyl)pyrimidin-2-amine.
What is the SMILES notation for [4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]methanol;5-(2-amino-6-ethylpyrimidin-4-yl)-1H-pyridin-2-one;6-[1-(4-chlorophenyl)sulfonylindol-3-yl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(4-methyl-1H-isoindol-5-yl)pyrimidin-2-amine;4-ethyl-6-(2-methylphenyl)pyrimidin-2-amine?
The canonical SMILES for [4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]methanol;5-(2-amino-6-ethylpyrimidin-4-yl)-1H-pyridin-2-one;6-[1-(4-chlorophenyl)sulfonylindol-3-yl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(4-methyl-1H-isoindol-5-yl)pyrimidin-2-amine;4-ethyl-6-(2-methylphenyl)pyrimidin-2-amine is CCc1cc(-c2ccc(=O)[nH]c2)nc(N)n1.CCc1cc(-c2ccc(CO)cc2)nc(N)n1.CCc1cc(-c2ccc3c(c2C)C=NC3)nc(N)n1.CCc1cc(-c2ccccc2C)nc(N)n1.CNc1cc(-c2cn(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc23)nc(N)n1.
What is the InChIKey of [4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]methanol;5-(2-amino-6-ethylpyrimidin-4-yl)-1H-pyridin-2-one;6-[1-(4-chlorophenyl)sulfonylindol-3-yl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(4-methyl-1H-isoindol-5-yl)pyrimidin-2-amine;4-ethyl-6-(2-methylphenyl)pyrimidin-2-amine?
The InChIKey is VZAXHXCSYJMZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O2S.C15H16N4.C13H15N3O.C13H15N3.C11H12N4O/c1-22-18-10-16(23-19(21)24-18)15-11-25(17-5-3-2-4-14(15)17)28(26,27)13-8-6-12(20)7-9-13;1-3-11-6-14(19-15(16)18-11)12-5-4-10-7-17-8-13(10)9(12)2;1-2-11-7-12(16-13(14)15-11)10-5-3-9(8-17)4-6-10;1-3-10-8-12(16-13(14)15-10)11-7-5-4-6-9(11)2;1-2-8-5-9(15-11(12)14-8)7-3-4-10(16)13-6-7/h2-11H,1H3,(H3,21,22,23,24);4-6,8H,3,7H2,1-2H3,(H2,16,18,19);3-7,17H,2,8H2,1H3,(H2,14,15,16);4-8H,3H2,1-2H3,(H2,14,15,16);3-6H,2H2,1H3,(H,13,16)(H2,12,14,15).
What are the key properties of [4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]methanol;5-(2-amino-6-ethylpyrimidin-4-yl)-1H-pyridin-2-one;6-[1-(4-chlorophenyl)sulfonylindol-3-yl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(4-methyl-1H-isoindol-5-yl)pyrimidin-2-amine;4-ethyl-6-(2-methylphenyl)pyrimidin-2-amine?
[4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]methanol;5-(2-amino-6-ethylpyrimidin-4-yl)-1H-pyridin-2-one;6-[1-(4-chlorophenyl)sulfonylindol-3-yl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(4-methyl-1H-isoindol-5-yl)pyrimidin-2-amine;4-ethyl-6-(2-methylphenyl)pyrimidin-2-amine has a molecular weight of 1325.02 g/mol, XLogP of 11.50, 13 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]methanol;5-(2-amino-6-ethylpyrimidin-4-yl)-1H-pyridin-2-one;6-[1-(4-chlorophenyl)sulfonylindol-3-yl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(4-methyl-1H-isoindol-5-yl)pyrimidin-2-amine;4-ethyl-6-(2-methylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 161439212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).