N-benzyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide

C16H20N4O — CID 109340213

IUPACN-benzyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
SMILESCC(C)CNc1cc(C(=O)NCc2ccccc2)ncn1
InChIInChI=1S/C16H20N4O/c1-12(2)9-17-15-8-14(19-11-20-15)16(21)18-10-13-6-4-3-5-7-13/h3-8,11-12H,9-10H2,1-2H3,(H,18,21)(H,17,19,20)
InChIKeyANGAKRZDYZMKTD-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.47
Rot. Bonds6

About N-benzyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide

N-benzyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide (PubChem CID 109340213) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-benzyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
PubChem CID109340213
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-benzyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
SMILESCC(C)CNc1cc(C(=O)NCc2ccccc2)ncn1
InChIInChI=1S/C16H20N4O/c1-12(2)9-17-15-8-14(19-11-20-15)16(21)18-10-13-6-4-3-5-7-13/h3-8,11-12H,9-10H2,1-2H3,(H,18,21)(H,17,19,20)
InChIKeyANGAKRZDYZMKTD-UHFFFAOYSA-N
XLogP2.47
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-benzyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2-methylpropylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109340230
N-benzyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109346632
N-(2-methylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109340281
N-benzyl-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109346679
N-benzyl-6-(4-ethylanilino)pyrimidine-4-carboxamide
CID 109346690
N-(pyridin-4-ylmethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350132
N-[(4-chlorophenyl)methyl]-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109348771
N-benzyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109346649
N-[(4-methoxyphenyl)methyl]-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109349158
N-benzyl-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109346699
N-[(4-chlorophenyl)methyl]-6-[(4-chlorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348666
2-N-benzyl-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094402

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide (CID 109340213) is N-benzyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide is CC(C)CNc1cc(C(=O)NCc2ccccc2)ncn1.
What is the InChIKey of N-benzyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide?
The InChIKey is ANGAKRZDYZMKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12(2)9-17-15-8-14(19-11-20-15)16(21)18-10-13-6-4-3-5-7-13/h3-8,11-12H,9-10H2,1-2H3,(H,18,21)(H,17,19,20).
What are the key properties of N-benzyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide?
N-benzyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109340213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).