4-chloro-7-(4-methoxyphenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine;4,6-dichloro-2-methylpyrimidin-5-amine

C19H18Cl3N7O3S — CID 157497891

IUPAC4-chloro-7-(4-methoxyphenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine;4,6-dichloro-2-methylpyrimidin-5-amine
SMILESCOc1ccc(S(=O)(=O)c2c(N)[nH]c3c(Cl)nc(C)nc23)cc1.Cc1nc(Cl)c(N)c(Cl)n1
InChIInChI=1S/C14H13ClN4O3S.C5H5Cl2N3/c1-7-17-10-11(13(15)18-7)19-14(16)12(10)23(20,21)9-5-3-8(22-2)4-6-9;1-2-9-4(6)3(8)5(7)10-2/h3-6,19H,16H2,1-2H3;8H2,1H3
InChIKeyBYAWWEANMXLUDF-UHFFFAOYSA-N
MW530.83 g/mol
LogP4.02
Rot. Bonds3

About 4-chloro-7-(4-methoxyphenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine;4,6-dichloro-2-methylpyrimidin-5-amine

4-chloro-7-(4-methoxyphenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine;4,6-dichloro-2-methylpyrimidin-5-amine (PubChem CID 157497891) has the molecular formula C19H18Cl3N7O3S and a molecular weight of 530.83 g/mol. Its IUPAC name is 4-chloro-7-(4-methoxyphenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine;4,6-dichloro-2-methylpyrimidin-5-amine.

Molecular Properties

Compound Name4-chloro-7-(4-methoxyphenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine;4,6-dichloro-2-methylpyrimidin-5-amine
PubChem CID157497891
Molecular FormulaC19H18Cl3N7O3S
Molecular Weight530.83 g/mol
Exact Mass529.03
IUPAC Name4-chloro-7-(4-methoxyphenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine;4,6-dichloro-2-methylpyrimidin-5-amine
SMILESCOc1ccc(S(=O)(=O)c2c(N)[nH]c3c(Cl)nc(C)nc23)cc1.Cc1nc(Cl)c(N)c(Cl)n1
InChIInChI=1S/C14H13ClN4O3S.C5H5Cl2N3/c1-7-17-10-11(13(15)18-7)19-14(16)12(10)23(20,21)9-5-3-8(22-2)4-6-9;1-2-9-4(6)3(8)5(7)10-2/h3-6,19H,16H2,1-2H3;8H2,1H3
InChIKeyBYAWWEANMXLUDF-UHFFFAOYSA-N
XLogP4.02
TPSA162.76 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.83
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

4-chloro-7-(3-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine;4,6-dichloro-2-methylpyrimidin-5-amine
CID 157276238
4-(cyclohexen-1-yl)-7-(4-methoxyphenyl)sulfonyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine
CID 118615699
7-(benzenesulfonyl)-4-(1-cyclopropylethoxy)-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine
CID 118615496
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
7-(benzenesulfonyl)-4-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine
CID 118610763
5-(benzenesulfonyl)-4-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 15987565
1,2,3-tris[(4-methoxyphenyl)sulfonyl]benzene
CID 91532312
7-(benzenesulfonyl)-4-pentan-3-yloxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine
CID 118615619
1-benzyl-3-(4-methoxyphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine
CID 3982843
1-ethyl-5-(4-methoxyphenyl)sulfonyl-3-methylpyrazole
CID 57287286
7-(benzenesulfonyl)-4-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-amine
CID 118610633
9-(benzenesulfonyl)-6-chloro-2-methoxyacridine
CID 11417730

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-(4-methoxyphenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine;4,6-dichloro-2-methylpyrimidin-5-amine?
The IUPAC name of 4-chloro-7-(4-methoxyphenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine;4,6-dichloro-2-methylpyrimidin-5-amine (CID 157497891) is 4-chloro-7-(4-methoxyphenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine;4,6-dichloro-2-methylpyrimidin-5-amine.
What is the SMILES notation for 4-chloro-7-(4-methoxyphenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine;4,6-dichloro-2-methylpyrimidin-5-amine?
The canonical SMILES for 4-chloro-7-(4-methoxyphenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine;4,6-dichloro-2-methylpyrimidin-5-amine is COc1ccc(S(=O)(=O)c2c(N)[nH]c3c(Cl)nc(C)nc23)cc1.Cc1nc(Cl)c(N)c(Cl)n1.
What is the InChIKey of 4-chloro-7-(4-methoxyphenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine;4,6-dichloro-2-methylpyrimidin-5-amine?
The InChIKey is BYAWWEANMXLUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O3S.C5H5Cl2N3/c1-7-17-10-11(13(15)18-7)19-14(16)12(10)23(20,21)9-5-3-8(22-2)4-6-9;1-2-9-4(6)3(8)5(7)10-2/h3-6,19H,16H2,1-2H3;8H2,1H3.
What are the key properties of 4-chloro-7-(4-methoxyphenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine;4,6-dichloro-2-methylpyrimidin-5-amine?
4-chloro-7-(4-methoxyphenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine;4,6-dichloro-2-methylpyrimidin-5-amine has a molecular weight of 530.83 g/mol, XLogP of 4.02, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-(4-methoxyphenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine;4,6-dichloro-2-methylpyrimidin-5-amine is sourced from PubChem (CID 157497891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).