2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-pyridin-2-ylbenzamide

C18H17ClN6O — CID 157301562

IUPAC2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-pyridin-2-ylbenzamide
SMILESCNc1cc(C)nc(Nc2ccc(Cl)c(C(=O)Nc3ccccn3)c2)n1
InChIInChI=1S/C18H17ClN6O/c1-11-9-16(20-2)25-18(22-11)23-12-6-7-14(19)13(10-12)17(26)24-15-5-3-4-8-21-15/h3-10H,1-2H3,(H,21,24,26)(H2,20,22,23,25)
InChIKeyRGCCPUJFWZHTHB-UHFFFAOYSA-N
MW368.83 g/mol
LogP3.87
Rot. Bonds5

About 2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-pyridin-2-ylbenzamide

2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-pyridin-2-ylbenzamide (PubChem CID 157301562) has the molecular formula C18H17ClN6O and a molecular weight of 368.83 g/mol. Its IUPAC name is 2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-pyridin-2-ylbenzamide
PubChem CID157301562
Molecular FormulaC18H17ClN6O
Molecular Weight368.83 g/mol
Exact Mass368.12
IUPAC Name2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-pyridin-2-ylbenzamide
SMILESCNc1cc(C)nc(Nc2ccc(Cl)c(C(=O)Nc3ccccn3)c2)n1
InChIInChI=1S/C18H17ClN6O/c1-11-9-16(20-2)25-18(22-11)23-12-6-7-14(19)13(10-12)17(26)24-15-5-3-4-8-21-15/h3-10H,1-2H3,(H,21,24,26)(H2,20,22,23,25)
InChIKeyRGCCPUJFWZHTHB-UHFFFAOYSA-N
XLogP3.87
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.83
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 146338599
2-chloro-N-[2-(methylamino)ethyl]-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]benzamide
CID 146397871
2-chloro-N-[(E)-N-(methylideneamino)-C-[(Z)-prop-1-enyl]carbonimidoyl]-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]benzamide
CID 166650111
5-bromo-2-chloro-N-pyridin-2-ylbenzamide
CID 774435
2-N-(4-chloro-3-pyrazol-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 153405928
2-chloro-N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide
CID 44522261
1-[2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]-4-pyrrolidin-1-ylbutan-1-one
CID 158680843
cis-(1S,3R)-3-[[4-chloro-3-(pyridin-2-ylcarbamoyl)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95391969
N-[3-[[4-(4-chloroanilino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 112929812
N-[4-[(4-anilino-6-methylpyrimidin-2-yl)amino]phenyl]-2-methylbenzamide
CID 121032199
2,4-dichloro-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 121090464
5-chloro-2-methoxy-4-methyl-N-pyridin-2-ylbenzamide
CID 110762069

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-pyridin-2-ylbenzamide?
The IUPAC name of 2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-pyridin-2-ylbenzamide (CID 157301562) is 2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-pyridin-2-ylbenzamide?
The canonical SMILES for 2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-pyridin-2-ylbenzamide is CNc1cc(C)nc(Nc2ccc(Cl)c(C(=O)Nc3ccccn3)c2)n1.
What is the InChIKey of 2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-pyridin-2-ylbenzamide?
The InChIKey is RGCCPUJFWZHTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN6O/c1-11-9-16(20-2)25-18(22-11)23-12-6-7-14(19)13(10-12)17(26)24-15-5-3-4-8-21-15/h3-10H,1-2H3,(H,21,24,26)(H2,20,22,23,25).
What are the key properties of 2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-pyridin-2-ylbenzamide?
2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-pyridin-2-ylbenzamide has a molecular weight of 368.83 g/mol, XLogP of 3.87, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 157301562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).