2-ethyl-N-methyl-N-prop-2-enylpyrimidine-5-carboxamide

C11H15N3O — CID 50953378

IUPAC2-ethyl-N-methyl-N-prop-2-enylpyrimidine-5-carboxamide
SMILESC=CCN(C)C(=O)c1cnc(CC)nc1
InChIInChI=1S/C11H15N3O/c1-4-6-14(3)11(15)9-7-12-10(5-2)13-8-9/h4,7-8H,1,5-6H2,2-3H3
InChIKeyNJGGNPXTNABSBE-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.30
Rot. Bonds4

About 2-ethyl-N-methyl-N-prop-2-enylpyrimidine-5-carboxamide

2-ethyl-N-methyl-N-prop-2-enylpyrimidine-5-carboxamide (PubChem CID 50953378) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-ethyl-N-methyl-N-prop-2-enylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-methyl-N-prop-2-enylpyrimidine-5-carboxamide
PubChem CID50953378
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-ethyl-N-methyl-N-prop-2-enylpyrimidine-5-carboxamide
SMILESC=CCN(C)C(=O)c1cnc(CC)nc1
InChIInChI=1S/C11H15N3O/c1-4-6-14(3)11(15)9-7-12-10(5-2)13-8-9/h4,7-8H,1,5-6H2,2-3H3
InChIKeyNJGGNPXTNABSBE-UHFFFAOYSA-N
XLogP1.30
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-ethyl-N-methyl-N-prop-2-enylpyrimidine-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

4-Amino-5-pyrimidinecarboxamide
CID 818212
4-Amino-2-methylpyrimidine-5-carbaldehyde
CID 12904726
2-(Trifluoromethyl)pyrimidine-5-carboxamide
CID 68423044
Pyrimidine-5-carboxamide
CID 351819
2-(Dimethylamino)-5-pyrimidinecarbaldehyde
CID 795544
Pyrimidine, 5-carbamoyl-2-methylamino-
CID 69179728
2-Methylpyrimidine-5-carbaldehyde
CID 3160970
2-Aminopyrimidine-5-carboxamide
CID 254895
4-Amino-2-methylpyrimidine-5-carboxamide
CID 320019
2-Propylpyrimidine-5-carbaldehyde
CID 3160972
2-Isopropyl-5-pyrimidinecarbaldehyde
CID 3160974
2-tert-Butylpyrimidine-5-carbaldehyde
CID 11205960

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-N-prop-2-enylpyrimidine-5-carboxamide?
The IUPAC name of 2-ethyl-N-methyl-N-prop-2-enylpyrimidine-5-carboxamide (CID 50953378) is 2-ethyl-N-methyl-N-prop-2-enylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-methyl-N-prop-2-enylpyrimidine-5-carboxamide?
The canonical SMILES for 2-ethyl-N-methyl-N-prop-2-enylpyrimidine-5-carboxamide is C=CCN(C)C(=O)c1cnc(CC)nc1.
What is the InChIKey of 2-ethyl-N-methyl-N-prop-2-enylpyrimidine-5-carboxamide?
The InChIKey is NJGGNPXTNABSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-4-6-14(3)11(15)9-7-12-10(5-2)13-8-9/h4,7-8H,1,5-6H2,2-3H3.
What are the key properties of 2-ethyl-N-methyl-N-prop-2-enylpyrimidine-5-carboxamide?
2-ethyl-N-methyl-N-prop-2-enylpyrimidine-5-carboxamide has a molecular weight of 205.26 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-N-prop-2-enylpyrimidine-5-carboxamide is sourced from PubChem (CID 50953378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).