N,2-dicyclopropyl-4-methyl-N-[(E)-3-phenylprop-2-enyl]pyrimidine-5-carboxamide

C21H23N3O — CID 50978456

IUPACN,2-dicyclopropyl-4-methyl-N-[(E)-3-phenylprop-2-enyl]pyrimidine-5-carboxamide
SMILESCc1nc(C2CC2)ncc1C(=O)N(C/C=C/c1ccccc1)C1CC1
InChIInChI=1S/C21H23N3O/c1-15-19(14-22-20(23-15)17-9-10-17)21(25)24(18-11-12-18)13-5-8-16-6-3-2-4-7-16/h2-8,14,17-18H,9-13H2,1H3/b8-5+
InChIKeyUMWMDXBPBYPBJV-VMPITWQZSA-N
MW333.44 g/mol
LogP3.98
Rot. Bonds6

About N,2-dicyclopropyl-4-methyl-N-[(E)-3-phenylprop-2-enyl]pyrimidine-5-carboxamide

N,2-dicyclopropyl-4-methyl-N-[(E)-3-phenylprop-2-enyl]pyrimidine-5-carboxamide (PubChem CID 50978456) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N,2-dicyclopropyl-4-methyl-N-[(E)-3-phenylprop-2-enyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,2-dicyclopropyl-4-methyl-N-[(E)-3-phenylprop-2-enyl]pyrimidine-5-carboxamide
PubChem CID50978456
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN,2-dicyclopropyl-4-methyl-N-[(E)-3-phenylprop-2-enyl]pyrimidine-5-carboxamide
SMILESCc1nc(C2CC2)ncc1C(=O)N(C/C=C/c1ccccc1)C1CC1
InChIInChI=1S/C21H23N3O/c1-15-19(14-22-20(23-15)17-9-10-17)21(25)24(18-11-12-18)13-5-8-16-6-3-2-4-7-16/h2-8,14,17-18H,9-13H2,1H3/b8-5+
InChIKeyUMWMDXBPBYPBJV-VMPITWQZSA-N
XLogP3.98
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,2-dicyclopropyl-4-methyl-N-[(E)-3-phenylprop-2-enyl]pyrimidine-5-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,2-dicyclopropyl-4-methyl-N-[(E)-3-phenylprop-2-enyl]pyrimidine-5-carboxamide?
The IUPAC name of N,2-dicyclopropyl-4-methyl-N-[(E)-3-phenylprop-2-enyl]pyrimidine-5-carboxamide (CID 50978456) is N,2-dicyclopropyl-4-methyl-N-[(E)-3-phenylprop-2-enyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N,2-dicyclopropyl-4-methyl-N-[(E)-3-phenylprop-2-enyl]pyrimidine-5-carboxamide?
The canonical SMILES for N,2-dicyclopropyl-4-methyl-N-[(E)-3-phenylprop-2-enyl]pyrimidine-5-carboxamide is Cc1nc(C2CC2)ncc1C(=O)N(C/C=C/c1ccccc1)C1CC1.
What is the InChIKey of N,2-dicyclopropyl-4-methyl-N-[(E)-3-phenylprop-2-enyl]pyrimidine-5-carboxamide?
The InChIKey is UMWMDXBPBYPBJV-VMPITWQZSA-N. The full InChI is InChI=1S/C21H23N3O/c1-15-19(14-22-20(23-15)17-9-10-17)21(25)24(18-11-12-18)13-5-8-16-6-3-2-4-7-16/h2-8,14,17-18H,9-13H2,1H3/b8-5+.
What are the key properties of N,2-dicyclopropyl-4-methyl-N-[(E)-3-phenylprop-2-enyl]pyrimidine-5-carboxamide?
N,2-dicyclopropyl-4-methyl-N-[(E)-3-phenylprop-2-enyl]pyrimidine-5-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dicyclopropyl-4-methyl-N-[(E)-3-phenylprop-2-enyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 50978456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).