N-(2-methylpropyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide

C17H22N4O — CID 109248455

IUPACN-(2-methylpropyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide
SMILESCC(C)CNC(=O)c1cnc(NC(C)c2ccccc2)nc1
InChIInChI=1S/C17H22N4O/c1-12(2)9-18-16(22)15-10-19-17(20-11-15)21-13(3)14-7-5-4-6-8-14/h4-8,10-13H,9H2,1-3H3,(H,18,22)(H,19,20,21)
InChIKeyXRVYLLLRNQYPKU-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.04
Rot. Bonds6

About N-(2-methylpropyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide

N-(2-methylpropyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide (PubChem CID 109248455) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide
PubChem CID109248455
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-(2-methylpropyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide
SMILESCC(C)CNC(=O)c1cnc(NC(C)c2ccccc2)nc1
InChIInChI=1S/C17H22N4O/c1-12(2)9-18-16(22)15-10-19-17(20-11-15)21-13(3)14-7-5-4-6-8-14/h4-8,10-13H,9H2,1-3H3,(H,18,22)(H,19,20,21)
InChIKeyXRVYLLLRNQYPKU-UHFFFAOYSA-N
XLogP3.04
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-anilino-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248518
2-[[(1S)-1-phenylethyl]amino]pyrimidine-5-carboxamide
CID 141139654
N-[(3-methylphenyl)methyl]-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109255805
N-[2-(3-chlorophenyl)ethyl]-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109256521
N-(4-fluorophenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109256548
N-(3,4-dimethylphenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109256532
N-benzyl-N-ethyl-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109256485
2-(1-phenylethylamino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109256567
1-N-(2-methylpropyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109051265
2-(3-methylbutylamino)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109256382
N-(2-methyl-6-propan-2-ylphenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109256544
[2-(1-phenylethylamino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249920

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(2-methylpropyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide (CID 109248455) is N-(2-methylpropyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide is CC(C)CNC(=O)c1cnc(NC(C)c2ccccc2)nc1.
What is the InChIKey of N-(2-methylpropyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide?
The InChIKey is XRVYLLLRNQYPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12(2)9-18-16(22)15-10-19-17(20-11-15)21-13(3)14-7-5-4-6-8-14/h4-8,10-13H,9H2,1-3H3,(H,18,22)(H,19,20,21).
What are the key properties of N-(2-methylpropyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide?
N-(2-methylpropyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109248455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).