N-[(4-chlorophenyl)methyl]-2-(diethylamino)pyrimidine-4-carboxamide

C16H19ClN4O — CID 109306052

IUPACN-[(4-chlorophenyl)methyl]-2-(diethylamino)pyrimidine-4-carboxamide
SMILESCCN(CC)c1nccc(C(=O)NCc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H19ClN4O/c1-3-21(4-2)16-18-10-9-14(20-16)15(22)19-11-12-5-7-13(17)8-6-12/h5-10H,3-4,11H2,1-2H3,(H,19,22)
InChIKeyRZRHGUFMKFHSDB-UHFFFAOYSA-N
MW318.81 g/mol
LogP2.91
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-2-(diethylamino)pyrimidine-4-carboxamide

N-[(4-chlorophenyl)methyl]-2-(diethylamino)pyrimidine-4-carboxamide (PubChem CID 109306052) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(diethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(diethylamino)pyrimidine-4-carboxamide
PubChem CID109306052
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(diethylamino)pyrimidine-4-carboxamide
SMILESCCN(CC)c1nccc(C(=O)NCc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H19ClN4O/c1-3-21(4-2)16-18-10-9-14(20-16)15(22)19-11-12-5-7-13(17)8-6-12/h5-10H,3-4,11H2,1-2H3,(H,19,22)
InChIKeyRZRHGUFMKFHSDB-UHFFFAOYSA-N
XLogP2.91
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(ethyl)amino]-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109306437
2-[(4-chlorophenyl)methylamino]-N-propylpyrimidine-4-carboxamide
CID 109294953
2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109306739
N-[(4-chlorophenyl)methyl]-6-(diethylamino)pyridazine-3-carboxamide
CID 109119900
N-[(4-chlorophenyl)methyl]-2-(pentylamino)pyrimidine-4-carboxamide
CID 109306058
2-[benzyl(ethyl)amino]-N-[(4-chlorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329023
N-[(4-chlorophenyl)methyl]-2-[(1,1-dioxothiolan-3-yl)-methylamino]pyrimidine-4-carboxamide
CID 109306050
N-(2,6-dichlorophenyl)-2-(diethylamino)pyrimidine-4-carboxamide
CID 109310804
N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302036
N-[(4-chlorophenyl)methyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109306057
2-(diethylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109310729
N-[(4-chlorophenyl)methyl]-4-(ethylamino)pyridine-2-carboxamide
CID 62186393

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(diethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(diethylamino)pyrimidine-4-carboxamide (CID 109306052) is N-[(4-chlorophenyl)methyl]-2-(diethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(diethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(diethylamino)pyrimidine-4-carboxamide is CCN(CC)c1nccc(C(=O)NCc2ccc(Cl)cc2)n1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(diethylamino)pyrimidine-4-carboxamide?
The InChIKey is RZRHGUFMKFHSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-3-21(4-2)16-18-10-9-14(20-16)15(22)19-11-12-5-7-13(17)8-6-12/h5-10H,3-4,11H2,1-2H3,(H,19,22).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(diethylamino)pyrimidine-4-carboxamide?
N-[(4-chlorophenyl)methyl]-2-(diethylamino)pyrimidine-4-carboxamide has a molecular weight of 318.81 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(diethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109306052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).