6-methyl-N-propan-2-yl-2-(propan-2-ylamino)pyrimidine-4-carboxamide

C12H20N4O — CID 109319251

IUPAC6-methyl-N-propan-2-yl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)C)nc(NC(C)C)n1
InChIInChI=1S/C12H20N4O/c1-7(2)13-11(17)10-6-9(5)15-12(16-10)14-8(3)4/h6-8H,1-5H3,(H,13,17)(H,14,15,16)
InChIKeyGUSJHMLXRLUJNW-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.74
Rot. Bonds4

About 6-methyl-N-propan-2-yl-2-(propan-2-ylamino)pyrimidine-4-carboxamide

6-methyl-N-propan-2-yl-2-(propan-2-ylamino)pyrimidine-4-carboxamide (PubChem CID 109319251) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 6-methyl-N-propan-2-yl-2-(propan-2-ylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-N-propan-2-yl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
PubChem CID109319251
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name6-methyl-N-propan-2-yl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)C)nc(NC(C)C)n1
InChIInChI=1S/C12H20N4O/c1-7(2)13-11(17)10-6-9(5)15-12(16-10)14-8(3)4/h6-8H,1-5H3,(H,13,17)(H,14,15,16)
InChIKeyGUSJHMLXRLUJNW-UHFFFAOYSA-N
XLogP1.74
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-methyl-N-propan-2-yl-2-(propan-2-ylamino)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

N-tert-butyl-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319328
2,6-dimethyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 110847887
N-cyclopentyl-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319258
2-(2,6-dichloroanilino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319628
2-[(4-chlorophenyl)methylamino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319479
4-chloro-6-methyl-N-propan-2-ylpyrimidin-2-amine
CID 53385565
N-(4-bromo-2-methylphenyl)-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319418
2-(2,5-dichloroanilino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319626
2-(2,4-dichloroanilino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319625
N-(3-chloro-4-fluorophenyl)-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319375
2-(furan-2-ylmethylamino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319469
2-[2-(4-chlorophenyl)ethylamino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319503

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-propan-2-yl-2-(propan-2-ylamino)pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-N-propan-2-yl-2-(propan-2-ylamino)pyrimidine-4-carboxamide (CID 109319251) is 6-methyl-N-propan-2-yl-2-(propan-2-ylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-N-propan-2-yl-2-(propan-2-ylamino)pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-N-propan-2-yl-2-(propan-2-ylamino)pyrimidine-4-carboxamide is Cc1cc(C(=O)NC(C)C)nc(NC(C)C)n1.
What is the InChIKey of 6-methyl-N-propan-2-yl-2-(propan-2-ylamino)pyrimidine-4-carboxamide?
The InChIKey is GUSJHMLXRLUJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-7(2)13-11(17)10-6-9(5)15-12(16-10)14-8(3)4/h6-8H,1-5H3,(H,13,17)(H,14,15,16).
What are the key properties of 6-methyl-N-propan-2-yl-2-(propan-2-ylamino)pyrimidine-4-carboxamide?
6-methyl-N-propan-2-yl-2-(propan-2-ylamino)pyrimidine-4-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-propan-2-yl-2-(propan-2-ylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109319251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).