N-cyclobutyl-N,6-dimethyl-2-(methylamino)pyrimidine-4-carboxamide

C12H18N4O — CID 114220460

IUPACN-cyclobutyl-N,6-dimethyl-2-(methylamino)pyrimidine-4-carboxamide
SMILESCNc1nc(C)cc(C(=O)N(C)C2CCC2)n1
InChIInChI=1S/C12H18N4O/c1-8-7-10(15-12(13-2)14-8)11(17)16(3)9-5-4-6-9/h7,9H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyWCTBPVGHMUNUFD-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.45
Rot. Bonds3

About N-cyclobutyl-N,6-dimethyl-2-(methylamino)pyrimidine-4-carboxamide

N-cyclobutyl-N,6-dimethyl-2-(methylamino)pyrimidine-4-carboxamide (PubChem CID 114220460) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-cyclobutyl-N,6-dimethyl-2-(methylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-N,6-dimethyl-2-(methylamino)pyrimidine-4-carboxamide
PubChem CID114220460
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-cyclobutyl-N,6-dimethyl-2-(methylamino)pyrimidine-4-carboxamide
SMILESCNc1nc(C)cc(C(=O)N(C)C2CCC2)n1
InChIInChI=1S/C12H18N4O/c1-8-7-10(15-12(13-2)14-8)11(17)16(3)9-5-4-6-9/h7,9H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyWCTBPVGHMUNUFD-UHFFFAOYSA-N
XLogP1.45
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N,6-dimethyl-2-(methylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-cyclobutyl-N,6-dimethyl-2-(methylamino)pyrimidine-4-carboxamide (CID 114220460) is N-cyclobutyl-N,6-dimethyl-2-(methylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclobutyl-N,6-dimethyl-2-(methylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclobutyl-N,6-dimethyl-2-(methylamino)pyrimidine-4-carboxamide is CNc1nc(C)cc(C(=O)N(C)C2CCC2)n1.
What is the InChIKey of N-cyclobutyl-N,6-dimethyl-2-(methylamino)pyrimidine-4-carboxamide?
The InChIKey is WCTBPVGHMUNUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-8-7-10(15-12(13-2)14-8)11(17)16(3)9-5-4-6-9/h7,9H,4-6H2,1-3H3,(H,13,14,15).
What are the key properties of N-cyclobutyl-N,6-dimethyl-2-(methylamino)pyrimidine-4-carboxamide?
N-cyclobutyl-N,6-dimethyl-2-(methylamino)pyrimidine-4-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N,6-dimethyl-2-(methylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 114220460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).