5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N,N-dimethyl-1H-pyrrole-3-carboxamide

C18H18ClN5O — CID 66571201

IUPAC5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N,N-dimethyl-1H-pyrrole-3-carboxamide
SMILESCc1ccc(Cl)cc1-c1[nH]c(-c2ccnc(N)n2)cc1C(=O)N(C)C
InChIInChI=1S/C18H18ClN5O/c1-10-4-5-11(19)8-12(10)16-13(17(25)24(2)3)9-15(22-16)14-6-7-21-18(20)23-14/h4-9,22H,1-3H3,(H2,20,21,23)
InChIKeyQIHLJTBBSVIFSD-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.38
Rot. Bonds3

About 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N,N-dimethyl-1H-pyrrole-3-carboxamide

5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N,N-dimethyl-1H-pyrrole-3-carboxamide (PubChem CID 66571201) has the molecular formula C18H18ClN5O and a molecular weight of 355.83 g/mol. Its IUPAC name is 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N,N-dimethyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N,N-dimethyl-1H-pyrrole-3-carboxamide
PubChem CID66571201
Molecular FormulaC18H18ClN5O
Molecular Weight355.83 g/mol
Exact Mass355.12
IUPAC Name5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N,N-dimethyl-1H-pyrrole-3-carboxamide
SMILESCc1ccc(Cl)cc1-c1[nH]c(-c2ccnc(N)n2)cc1C(=O)N(C)C
InChIInChI=1S/C18H18ClN5O/c1-10-4-5-11(19)8-12(10)16-13(17(25)24(2)3)9-15(22-16)14-6-7-21-18(20)23-14/h4-9,22H,1-3H3,(H2,20,21,23)
InChIKeyQIHLJTBBSVIFSD-UHFFFAOYSA-N
XLogP3.38
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminopyrimidin-4-yl)-7-(propan-2-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11357740
2-(2-aminopyrimidin-4-yl)-7-phenyl-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11210036
2-[2-(benzylamino)pyrimidin-4-yl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11267154
2-[2-(phenylamino)pyrimidin-4-yl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11267850
2-(2-aminopyrimidin-4-yl)-6-(propan-2-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11311779
2-{2-[(cyclohexylmethyl)amino]pyrimidin-4-yl}-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11347930
N-(4-{4-oxo-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-2-yl}pyrimidin-2-yl)benzamide
CID 11404817
2-[2-(propylamino)pyrimidin-4-yl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11425728
2-(2-aminopyrimidin-4-yl)-6-(2-methylpropyl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11483024
2-{2-[(2-methylpropyl)amino]pyrimidin-4-yl}-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11483025
2-(2-aminopyrimidin-4-yl)-7,7-diethyl-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11500189
5-(2-Amino-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carboxamide
CID 24809764

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N,N-dimethyl-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N,N-dimethyl-1H-pyrrole-3-carboxamide (CID 66571201) is 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N,N-dimethyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N,N-dimethyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N,N-dimethyl-1H-pyrrole-3-carboxamide is Cc1ccc(Cl)cc1-c1[nH]c(-c2ccnc(N)n2)cc1C(=O)N(C)C.
What is the InChIKey of 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N,N-dimethyl-1H-pyrrole-3-carboxamide?
The InChIKey is QIHLJTBBSVIFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O/c1-10-4-5-11(19)8-12(10)16-13(17(25)24(2)3)9-15(22-16)14-6-7-21-18(20)23-14/h4-9,22H,1-3H3,(H2,20,21,23).
What are the key properties of 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N,N-dimethyl-1H-pyrrole-3-carboxamide?
5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N,N-dimethyl-1H-pyrrole-3-carboxamide has a molecular weight of 355.83 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N,N-dimethyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 66571201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).