N-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide

C14H16N4O — CID 109338723

IUPACN-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
SMILESCC(C)Nc1cc(C(=O)Nc2ccccc2)ncn1
InChIInChI=1S/C14H16N4O/c1-10(2)17-13-8-12(15-9-16-13)14(19)18-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyLAQDZQGPHXSXHB-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.55
Rot. Bonds4

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

N-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide (PubChem CID 109338723) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is N-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
PubChem CID109338723
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC NameN-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
SMILESCC(C)Nc1cc(C(=O)Nc2ccccc2)ncn1
InChIInChI=1S/C14H16N4O/c1-10(2)17-13-8-12(15-9-16-13)14(19)18-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyLAQDZQGPHXSXHB-UHFFFAOYSA-N
XLogP2.55
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-phenyl-6-(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

Frequently Asked Questions

What is the IUPAC name of N-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide (CID 109338723) is N-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide is CC(C)Nc1cc(C(=O)Nc2ccccc2)ncn1.
What is the InChIKey of N-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide?
The InChIKey is LAQDZQGPHXSXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-10(2)17-13-8-12(15-9-16-13)14(19)18-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,18,19)(H,15,16,17).
What are the key properties of N-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide?
N-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109338723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).