4-(6-aminopyrimidin-4-yl)-1-(5-chloro-2-methylphenyl)pyrrole-2-carboxamide

C16H14ClN5O — CID 90034390

IUPAC4-(6-aminopyrimidin-4-yl)-1-(5-chloro-2-methylphenyl)pyrrole-2-carboxamide
SMILESCc1ccc(Cl)cc1-n1cc(-c2cc(N)ncn2)cc1C(N)=O
InChIInChI=1S/C16H14ClN5O/c1-9-2-3-11(17)5-13(9)22-7-10(4-14(22)16(19)23)12-6-15(18)21-8-20-12/h2-8H,1H3,(H2,19,23)(H2,18,20,21)
InChIKeyKZJLFVSFVDUMIS-UHFFFAOYSA-N
MW327.78 g/mol
LogP2.58
Rot. Bonds3

About 4-(6-aminopyrimidin-4-yl)-1-(5-chloro-2-methylphenyl)pyrrole-2-carboxamide

4-(6-aminopyrimidin-4-yl)-1-(5-chloro-2-methylphenyl)pyrrole-2-carboxamide (PubChem CID 90034390) has the molecular formula C16H14ClN5O and a molecular weight of 327.78 g/mol. Its IUPAC name is 4-(6-aminopyrimidin-4-yl)-1-(5-chloro-2-methylphenyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(6-aminopyrimidin-4-yl)-1-(5-chloro-2-methylphenyl)pyrrole-2-carboxamide
PubChem CID90034390
Molecular FormulaC16H14ClN5O
Molecular Weight327.78 g/mol
Exact Mass327.09
IUPAC Name4-(6-aminopyrimidin-4-yl)-1-(5-chloro-2-methylphenyl)pyrrole-2-carboxamide
SMILESCc1ccc(Cl)cc1-n1cc(-c2cc(N)ncn2)cc1C(N)=O
InChIInChI=1S/C16H14ClN5O/c1-9-2-3-11(17)5-13(9)22-7-10(4-14(22)16(19)23)12-6-15(18)21-8-20-12/h2-8H,1H3,(H2,19,23)(H2,18,20,21)
InChIKeyKZJLFVSFVDUMIS-UHFFFAOYSA-N
XLogP2.58
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(6-aminopyrimidin-4-yl)-1-(5-chloro-2-methylphenyl)pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(6-aminopyrimidin-4-yl)-1-(5-chloro-2-methylphenyl)pyrrole-2-carboxamide?
The IUPAC name of 4-(6-aminopyrimidin-4-yl)-1-(5-chloro-2-methylphenyl)pyrrole-2-carboxamide (CID 90034390) is 4-(6-aminopyrimidin-4-yl)-1-(5-chloro-2-methylphenyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-(6-aminopyrimidin-4-yl)-1-(5-chloro-2-methylphenyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-(6-aminopyrimidin-4-yl)-1-(5-chloro-2-methylphenyl)pyrrole-2-carboxamide is Cc1ccc(Cl)cc1-n1cc(-c2cc(N)ncn2)cc1C(N)=O.
What is the InChIKey of 4-(6-aminopyrimidin-4-yl)-1-(5-chloro-2-methylphenyl)pyrrole-2-carboxamide?
The InChIKey is KZJLFVSFVDUMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O/c1-9-2-3-11(17)5-13(9)22-7-10(4-14(22)16(19)23)12-6-15(18)21-8-20-12/h2-8H,1H3,(H2,19,23)(H2,18,20,21).
What are the key properties of 4-(6-aminopyrimidin-4-yl)-1-(5-chloro-2-methylphenyl)pyrrole-2-carboxamide?
4-(6-aminopyrimidin-4-yl)-1-(5-chloro-2-methylphenyl)pyrrole-2-carboxamide has a molecular weight of 327.78 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-aminopyrimidin-4-yl)-1-(5-chloro-2-methylphenyl)pyrrole-2-carboxamide is sourced from PubChem (CID 90034390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).