N-ethyl-2H-pyrimidine-1-carboxamide

C7H11N3O — CID 154048654

IUPACN-ethyl-2H-pyrimidine-1-carboxamide
SMILESCCNC(=O)N1C=CC=NC1
InChIInChI=1S/C7H11N3O/c1-2-9-7(11)10-5-3-4-8-6-10/h3-5H,2,6H2,1H3,(H,9,11)
InChIKeyAAGYEPDNGAZIEY-UHFFFAOYSA-N
MW153.19 g/mol
LogP0.57
Rot. Bonds1

About N-ethyl-2H-pyrimidine-1-carboxamide

N-ethyl-2H-pyrimidine-1-carboxamide (PubChem CID 154048654) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is N-ethyl-2H-pyrimidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-2H-pyrimidine-1-carboxamide
PubChem CID154048654
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC NameN-ethyl-2H-pyrimidine-1-carboxamide
SMILESCCNC(=O)N1C=CC=NC1
InChIInChI=1S/C7H11N3O/c1-2-9-7(11)10-5-3-4-8-6-10/h3-5H,2,6H2,1H3,(H,9,11)
InChIKeyAAGYEPDNGAZIEY-UHFFFAOYSA-N
XLogP0.57
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-2H-pyrimidine-1-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-ethyl-2H-pyrimidine-1-carboxamide?
The IUPAC name of N-ethyl-2H-pyrimidine-1-carboxamide (CID 154048654) is N-ethyl-2H-pyrimidine-1-carboxamide.
What is the SMILES notation for N-ethyl-2H-pyrimidine-1-carboxamide?
The canonical SMILES for N-ethyl-2H-pyrimidine-1-carboxamide is CCNC(=O)N1C=CC=NC1.
What is the InChIKey of N-ethyl-2H-pyrimidine-1-carboxamide?
The InChIKey is AAGYEPDNGAZIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-2-9-7(11)10-5-3-4-8-6-10/h3-5H,2,6H2,1H3,(H,9,11).
What are the key properties of N-ethyl-2H-pyrimidine-1-carboxamide?
N-ethyl-2H-pyrimidine-1-carboxamide has a molecular weight of 153.19 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2H-pyrimidine-1-carboxamide is sourced from PubChem (CID 154048654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).