N-[(4-chlorophenyl)methyl]-2-methyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide

C16H19ClN4O — CID 109360404

IUPACN-[(4-chlorophenyl)methyl]-2-methyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
SMILESCc1nc(NC(C)C)cc(C(=O)NCc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H19ClN4O/c1-10(2)19-15-8-14(20-11(3)21-15)16(22)18-9-12-4-6-13(17)7-5-12/h4-8,10H,9H2,1-3H3,(H,18,22)(H,19,20,21)
InChIKeyQWWAJMDSYPMONV-UHFFFAOYSA-N
MW318.81 g/mol
LogP3.19
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-2-methyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide

N-[(4-chlorophenyl)methyl]-2-methyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide (PubChem CID 109360404) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-methyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-methyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
PubChem CID109360404
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC NameN-[(4-chlorophenyl)methyl]-2-methyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
SMILESCc1nc(NC(C)C)cc(C(=O)NCc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H19ClN4O/c1-10(2)19-15-8-14(20-11(3)21-15)16(22)18-9-12-4-6-13(17)7-5-12/h4-8,10H,9H2,1-3H3,(H,18,22)(H,19,20,21)
InChIKeyQWWAJMDSYPMONV-UHFFFAOYSA-N
XLogP3.19
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide
CID 109360009
2-methyl-6-(propan-2-ylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109360410
N-[(4-chlorophenyl)methyl]-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109370199
N-[(4-chlorophenyl)methyl]-6-(4-fluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 109370177
N-[(4-chlorophenyl)methyl]-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109370162
2-methyl-6-(propan-2-ylamino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109360374
2-methyl-N-[(4-methylphenyl)methyl]-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109369078
6-(4-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369910
N-(3,4-difluorophenyl)-2-methyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360567
N-[(4-chlorophenyl)methyl]-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365353
2-methyl-N-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360462
N-[(4-methoxyphenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370347

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-methyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-methyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide (CID 109360404) is N-[(4-chlorophenyl)methyl]-2-methyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-methyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-methyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide is Cc1nc(NC(C)C)cc(C(=O)NCc2ccc(Cl)cc2)n1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-methyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide?
The InChIKey is QWWAJMDSYPMONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-10(2)19-15-8-14(20-11(3)21-15)16(22)18-9-12-4-6-13(17)7-5-12/h4-8,10H,9H2,1-3H3,(H,18,22)(H,19,20,21).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-methyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide?
N-[(4-chlorophenyl)methyl]-2-methyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide has a molecular weight of 318.81 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-methyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109360404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).