2-[benzyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)pyrimidine-5-carboxamide

C20H19ClN4O2 — CID 109256823

IUPAC2-[benzyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(N(C)Cc3ccccc3)nc2)cc1Cl
InChIInChI=1S/C20H19ClN4O2/c1-25(13-14-6-4-3-5-7-14)20-22-11-15(12-23-20)19(26)24-16-8-9-18(27-2)17(21)10-16/h3-12H,13H2,1-2H3,(H,24,26)
InChIKeyNGHLKFGLUABDOT-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.03
Rot. Bonds6

About 2-[benzyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)pyrimidine-5-carboxamide

2-[benzyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)pyrimidine-5-carboxamide (PubChem CID 109256823) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)pyrimidine-5-carboxamide
PubChem CID109256823
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name2-[benzyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(N(C)Cc3ccccc3)nc2)cc1Cl
InChIInChI=1S/C20H19ClN4O2/c1-25(13-14-6-4-3-5-7-14)20-22-11-15(12-23-20)19(26)24-16-8-9-18(27-2)17(21)10-16/h3-12H,13H2,1-2H3,(H,24,26)
InChIKeyNGHLKFGLUABDOT-UHFFFAOYSA-N
XLogP4.03
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)pyrimidine-5-carboxamide
CID 109256820
N-(3-chloro-4-methoxyphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide
CID 109260720
6-[benzyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)pyridazine-3-carboxamide
CID 109119002
6-[benzyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109369404
N-(1,3-benzodioxol-5-yl)-2-[benzyl(methyl)amino]pyrimidine-5-carboxamide
CID 109256853
2-[benzyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-5-carboxamide
CID 109256854
2-[benzyl(methyl)amino]-N-(3-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109256817
N-(3-chloro-4-methoxyphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide
CID 109269318
N-[4-[benzyl(methyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 112982300
2-[benzyl(methyl)amino]-N-propan-2-ylpyrimidine-5-carboxamide
CID 109246891
2-[benzyl(propan-2-yl)amino]-N-(3-chloro-4-methylphenyl)pyrimidine-5-carboxamide
CID 109263371
N-(3-chloro-4-methoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109258745

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)pyrimidine-5-carboxamide (CID 109256823) is 2-[benzyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)pyrimidine-5-carboxamide is COc1ccc(NC(=O)c2cnc(N(C)Cc3ccccc3)nc2)cc1Cl.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)pyrimidine-5-carboxamide?
The InChIKey is NGHLKFGLUABDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-25(13-14-6-4-3-5-7-14)20-22-11-15(12-23-20)19(26)24-16-8-9-18(27-2)17(21)10-16/h3-12H,13H2,1-2H3,(H,24,26).
What are the key properties of 2-[benzyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)pyrimidine-5-carboxamide?
2-[benzyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)pyrimidine-5-carboxamide has a molecular weight of 382.85 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109256823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).