N-(2-chlorophenyl)-6-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide

C16H19ClN4O — CID 109320908

IUPACN-(2-chlorophenyl)-6-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2Cl)nc(NCC(C)C)n1
InChIInChI=1S/C16H19ClN4O/c1-10(2)9-18-16-19-11(3)8-14(21-16)15(22)20-13-7-5-4-6-12(13)17/h4-8,10H,9H2,1-3H3,(H,20,22)(H,18,19,21)
InChIKeyZHAUWCFBUAODJZ-UHFFFAOYSA-N
MW318.81 g/mol
LogP3.76
Rot. Bonds5

About N-(2-chlorophenyl)-6-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide

N-(2-chlorophenyl)-6-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide (PubChem CID 109320908) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is N-(2-chlorophenyl)-6-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-6-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide
PubChem CID109320908
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC NameN-(2-chlorophenyl)-6-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2Cl)nc(NCC(C)C)n1
InChIInChI=1S/C16H19ClN4O/c1-10(2)9-18-16-19-11(3)8-14(21-16)15(22)20-13-7-5-4-6-12(13)17/h4-8,10H,9H2,1-3H3,(H,20,22)(H,18,19,21)
InChIKeyZHAUWCFBUAODJZ-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109320900
N-(2-chlorophenyl)-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109329921
N-(3-chloro-4-fluorophenyl)-6-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109320915
6-methyl-N-(2-methylpropyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109320796
2-(2,3-dichloroanilino)-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109321165
N-(2-fluorophenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109333115
methyl 4-[[6-methyl-2-(2-methylpropylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109320941
N-[4-(dimethylamino)phenyl]-6-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109320944
N-(2-chlorophenyl)-4,6-dimethylpyridine-2-carboxamide
CID 19224329
N-[(2-chlorophenyl)methyl]-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109328905
methyl 4-chloro-3-[[6-methyl-2-(3-methylbutylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109333151
N-(2-ethylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327397

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-6-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-6-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide (CID 109320908) is N-(2-chlorophenyl)-6-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-6-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-6-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2ccccc2Cl)nc(NCC(C)C)n1.
What is the InChIKey of N-(2-chlorophenyl)-6-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide?
The InChIKey is ZHAUWCFBUAODJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-10(2)9-18-16-19-11(3)8-14(21-16)15(22)20-13-7-5-4-6-12(13)17/h4-8,10H,9H2,1-3H3,(H,20,22)(H,18,19,21).
What are the key properties of N-(2-chlorophenyl)-6-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide?
N-(2-chlorophenyl)-6-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide has a molecular weight of 318.81 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-6-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109320908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).