N-butan-2-yl-2-[(2-chlorophenyl)methylamino]pyrimidine-5-carboxamide

C16H19ClN4O — CID 109248845

IUPACN-butan-2-yl-2-[(2-chlorophenyl)methylamino]pyrimidine-5-carboxamide
SMILESCCC(C)NC(=O)c1cnc(NCc2ccccc2Cl)nc1
InChIInChI=1S/C16H19ClN4O/c1-3-11(2)21-15(22)13-9-19-16(20-10-13)18-8-12-6-4-5-7-14(12)17/h4-7,9-11H,3,8H2,1-2H3,(H,21,22)(H,18,19,20)
InChIKeyKVTYEOYISICAFH-UHFFFAOYSA-N
MW318.81 g/mol
LogP3.27
Rot. Bonds6

About N-butan-2-yl-2-[(2-chlorophenyl)methylamino]pyrimidine-5-carboxamide

N-butan-2-yl-2-[(2-chlorophenyl)methylamino]pyrimidine-5-carboxamide (PubChem CID 109248845) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is N-butan-2-yl-2-[(2-chlorophenyl)methylamino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(2-chlorophenyl)methylamino]pyrimidine-5-carboxamide
PubChem CID109248845
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC NameN-butan-2-yl-2-[(2-chlorophenyl)methylamino]pyrimidine-5-carboxamide
SMILESCCC(C)NC(=O)c1cnc(NCc2ccccc2Cl)nc1
InChIInChI=1S/C16H19ClN4O/c1-3-11(2)21-15(22)13-9-19-16(20-10-13)18-8-12-6-4-5-7-14(12)17/h4-7,9-11H,3,8H2,1-2H3,(H,21,22)(H,18,19,20)
InChIKeyKVTYEOYISICAFH-UHFFFAOYSA-N
XLogP3.27
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chlorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide
CID 57380747
N-(2-chlorophenyl)-2-[(2-chlorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257535
N-butan-2-yl-2-(2-ethylanilino)pyrimidine-5-carboxamide
CID 109248917
2-[(2-chlorophenyl)methylamino]-N-pentylpyrimidine-5-carboxamide
CID 109257503
N-butan-2-yl-6-[(2-chlorophenyl)methylamino]pyridazine-3-carboxamide
CID 109111563
N-butan-2-yl-2-(2-methylpropylamino)pyrimidine-5-carboxamide
CID 109248625
N-butan-2-yl-2-[2-(dimethylamino)ethylamino]pyrimidine-5-carboxamide
CID 109248829
N-benzyl-2-[(2-chlorophenyl)methylamino]-N-ethylpyrimidine-5-carboxamide
CID 109257482
5-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844981
2-N,5-N-bis[(2S)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844984
N-butan-2-yl-2-(4-phenoxyanilino)pyrimidine-5-carboxamide
CID 109248974
2-[(2-chlorophenyl)methylamino]-N-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide
CID 109257489

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(2-chlorophenyl)methylamino]pyrimidine-5-carboxamide?
The IUPAC name of N-butan-2-yl-2-[(2-chlorophenyl)methylamino]pyrimidine-5-carboxamide (CID 109248845) is N-butan-2-yl-2-[(2-chlorophenyl)methylamino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-[(2-chlorophenyl)methylamino]pyrimidine-5-carboxamide?
The canonical SMILES for N-butan-2-yl-2-[(2-chlorophenyl)methylamino]pyrimidine-5-carboxamide is CCC(C)NC(=O)c1cnc(NCc2ccccc2Cl)nc1.
What is the InChIKey of N-butan-2-yl-2-[(2-chlorophenyl)methylamino]pyrimidine-5-carboxamide?
The InChIKey is KVTYEOYISICAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-3-11(2)21-15(22)13-9-19-16(20-10-13)18-8-12-6-4-5-7-14(12)17/h4-7,9-11H,3,8H2,1-2H3,(H,21,22)(H,18,19,20).
What are the key properties of N-butan-2-yl-2-[(2-chlorophenyl)methylamino]pyrimidine-5-carboxamide?
N-butan-2-yl-2-[(2-chlorophenyl)methylamino]pyrimidine-5-carboxamide has a molecular weight of 318.81 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[(2-chlorophenyl)methylamino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109248845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).