N-(2-hydroxyethyl)-4-methyl-N-(3-phenylprop-2-enyl)pyrimidine-5-carboxamide

C17H19N3O2 — CID 171134622

IUPACN-(2-hydroxyethyl)-4-methyl-N-(3-phenylprop-2-enyl)pyrimidine-5-carboxamide
SMILESCc1ncncc1C(=O)N(CC=Cc1ccccc1)CCO
InChIInChI=1S/C17H19N3O2/c1-14-16(12-18-13-19-14)17(22)20(10-11-21)9-5-8-15-6-3-2-4-7-15/h2-8,12-13,21H,9-11H2,1H3
InChIKeyUOJLELFIZDRTEW-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.93
Rot. Bonds6

About N-(2-hydroxyethyl)-4-methyl-N-(3-phenylprop-2-enyl)pyrimidine-5-carboxamide

N-(2-hydroxyethyl)-4-methyl-N-(3-phenylprop-2-enyl)pyrimidine-5-carboxamide (PubChem CID 171134622) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-methyl-N-(3-phenylprop-2-enyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-methyl-N-(3-phenylprop-2-enyl)pyrimidine-5-carboxamide
PubChem CID171134622
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-(2-hydroxyethyl)-4-methyl-N-(3-phenylprop-2-enyl)pyrimidine-5-carboxamide
SMILESCc1ncncc1C(=O)N(CC=Cc1ccccc1)CCO
InChIInChI=1S/C17H19N3O2/c1-14-16(12-18-13-19-14)17(22)20(10-11-21)9-5-8-15-6-3-2-4-7-15/h2-8,12-13,21H,9-11H2,1H3
InChIKeyUOJLELFIZDRTEW-UHFFFAOYSA-N
XLogP1.93
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-hydroxyethyl)-4-methyl-N-(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

Related Compounds

N,N-bis[(E)-3-phenylprop-2-enyl]benzamide
CID 139601549
1-(2-hydroxyethyl)-1-(3-phenylprop-2-enyl)-3-(2,2,2-trifluoroethyl)urea
CID 171134574
N-[(E)-3-phenylprop-2-enyl]-N-propyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 50961931
N-ethyl-2-methyl-N-[(E)-3-phenylprop-2-enyl]-1,8-naphthyridine-3-carboxamide
CID 50970090
2-(dimethylamino)-N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide
CID 72890883
2-[methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol
CID 14988338
N-(2-hydroxyethyl)-3-(1-methylpyrrol-2-yl)-N-(3-phenylprop-2-enyl)-1H-pyrazole-5-carboxamide
CID 91940438
N-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)-N-(3-phenylprop-2-enyl)acetamide
CID 171135111
N,5,6-trimethyl-N-(3-phenylprop-2-enyl)pyridine-3-carboxamide
CID 171134567
N-ethyl-2-(methylamino)-N-(3-phenylprop-2-enyl)pyrimidine-5-carboxamide
CID 171134990
N-(1,5-dimethylpyrazol-4-yl)-2-[2-hydroxyethyl(3-phenylprop-2-enyl)amino]acetamide
CID 171139923
N-ethyl-2-methyl-N-[(E)-3-phenylprop-2-enyl]-5-sulfamoylbenzamide
CID 46989053

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-methyl-N-(3-phenylprop-2-enyl)pyrimidine-5-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-4-methyl-N-(3-phenylprop-2-enyl)pyrimidine-5-carboxamide (CID 171134622) is N-(2-hydroxyethyl)-4-methyl-N-(3-phenylprop-2-enyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-methyl-N-(3-phenylprop-2-enyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-methyl-N-(3-phenylprop-2-enyl)pyrimidine-5-carboxamide is Cc1ncncc1C(=O)N(CC=Cc1ccccc1)CCO.
What is the InChIKey of N-(2-hydroxyethyl)-4-methyl-N-(3-phenylprop-2-enyl)pyrimidine-5-carboxamide?
The InChIKey is UOJLELFIZDRTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-14-16(12-18-13-19-14)17(22)20(10-11-21)9-5-8-15-6-3-2-4-7-15/h2-8,12-13,21H,9-11H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-4-methyl-N-(3-phenylprop-2-enyl)pyrimidine-5-carboxamide?
N-(2-hydroxyethyl)-4-methyl-N-(3-phenylprop-2-enyl)pyrimidine-5-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-methyl-N-(3-phenylprop-2-enyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 171134622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).