N-(4-chloro-2-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine

C14H13ClN4 — CID 110875091

IUPACN-(4-chloro-2-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cc(Cl)ccc1Nc1ncnc2c1ccn2C
InChIInChI=1S/C14H13ClN4/c1-9-7-10(15)3-4-12(9)18-13-11-5-6-19(2)14(11)17-8-16-13/h3-8H,1-2H3,(H,16,17,18)
InChIKeyHFJSYUWAYDBLBF-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.67
Rot. Bonds2

About N-(4-chloro-2-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine

N-(4-chloro-2-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 110875091) has the molecular formula C14H13ClN4 and a molecular weight of 272.74 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID110875091
Molecular FormulaC14H13ClN4
Molecular Weight272.74 g/mol
Exact Mass272.08
IUPAC NameN-(4-chloro-2-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cc(Cl)ccc1Nc1ncnc2c1ccn2C
InChIInChI=1S/C14H13ClN4/c1-9-7-10(15)3-4-12(9)18-13-11-5-6-19(2)14(11)17-8-16-13/h3-8H,1-2H3,(H,16,17,18)
InChIKeyHFJSYUWAYDBLBF-UHFFFAOYSA-N
XLogP3.67
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110434831
N-(2-chlorophenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 110875081
N-(4-bromo-3-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 110875185
N-(2-methoxyphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 110875105
7-methyl-N-(4-propan-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 110875068
4-N-(4-chloro-2-methylphenyl)-6-N-(3,4-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22546140
6-N-butyl-4-N-(4-chloro-2-methylphenyl)pyrimidine-4,5,6-triamine
CID 22546354
N-(4-ethylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 110875056
4-N-(4-chloro-2-methylphenyl)-6-N-methyl-5-nitropyrimidine-4,6-diamine
CID 23484992
4-N-(4-chloro-2-methylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 22546490
4-N-butan-2-yl-6-N-(4-chloro-2-methylphenyl)pyrimidine-4,5,6-triamine
CID 22546528
N-(5-chloro-2-methylphenyl)-3-ethyltriazolo[4,5-d]pyrimidin-7-amine
CID 7584508

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(4-chloro-2-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine (CID 110875091) is N-(4-chloro-2-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine is Cc1cc(Cl)ccc1Nc1ncnc2c1ccn2C.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is HFJSYUWAYDBLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4/c1-9-7-10(15)3-4-12(9)18-13-11-5-6-19(2)14(11)17-8-16-13/h3-8H,1-2H3,(H,16,17,18).
What are the key properties of N-(4-chloro-2-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
N-(4-chloro-2-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 272.74 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 110875091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).