6-(benzylamino)-N-(5-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide

C20H19ClN4O — CID 109368304

IUPAC6-(benzylamino)-N-(5-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(NCc2ccccc2)cc(C(=O)Nc2cc(Cl)ccc2C)n1
InChIInChI=1S/C20H19ClN4O/c1-13-8-9-16(21)10-17(13)25-20(26)18-11-19(24-14(2)23-18)22-12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKeySCGKFDIUDYNFOY-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.61
Rot. Bonds5

About 6-(benzylamino)-N-(5-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide

6-(benzylamino)-N-(5-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 109368304) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 6-(benzylamino)-N-(5-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(benzylamino)-N-(5-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide
PubChem CID109368304
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name6-(benzylamino)-N-(5-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(NCc2ccccc2)cc(C(=O)Nc2cc(Cl)ccc2C)n1
InChIInChI=1S/C20H19ClN4O/c1-13-8-9-16(21)10-17(13)25-20(26)18-11-19(24-14(2)23-18)22-12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKeySCGKFDIUDYNFOY-UHFFFAOYSA-N
XLogP4.61
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109368564
6-(benzylamino)-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109368287
6-(benzylamino)-N-(3,4-difluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109368359
N-(5-chloro-2-methoxyphenyl)-2-methyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109371506
6-(benzylamino)-N-(2-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109368315
N-(2,4-dichlorophenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109371066
N-(5-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110859086
6-(benzylamino)-N-(2,5-dimethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109368320
6-[(4-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109370106
6-(benzylamino)-N-(4-chloro-2-methylphenyl)pyrimidine-4-carboxamide
CID 109346550
6-[(4-chlorophenyl)methylamino]-N-cyclopropyl-2-methylpyrimidine-4-carboxamide
CID 109360992
methyl 4-[[6-(benzylamino)-2-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109368332

Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)-N-(5-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(benzylamino)-N-(5-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide (CID 109368304) is 6-(benzylamino)-N-(5-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(benzylamino)-N-(5-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(benzylamino)-N-(5-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide is Cc1nc(NCc2ccccc2)cc(C(=O)Nc2cc(Cl)ccc2C)n1.
What is the InChIKey of 6-(benzylamino)-N-(5-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is SCGKFDIUDYNFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-13-8-9-16(21)10-17(13)25-20(26)18-11-19(24-14(2)23-18)22-12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,25,26)(H,22,23,24).
What are the key properties of 6-(benzylamino)-N-(5-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide?
6-(benzylamino)-N-(5-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)-N-(5-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109368304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).