2-methyl-6-oxo-N-prop-2-enyl-1H-pyrimidine-5-carboxamide

C9H11N3O2 — CID 110848195

IUPAC2-methyl-6-oxo-N-prop-2-enyl-1H-pyrimidine-5-carboxamide
SMILESC=CCNC(=O)c1cnc(C)[nH]c1=O
InChIInChI=1S/C9H11N3O2/c1-3-4-10-8(13)7-5-11-6(2)12-9(7)14/h3,5H,1,4H2,2H3,(H,10,13)(H,11,12,14)
InChIKeyDPBVTNQEPDHRIF-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.01
Rot. Bonds3

About 2-methyl-6-oxo-N-prop-2-enyl-1H-pyrimidine-5-carboxamide

2-methyl-6-oxo-N-prop-2-enyl-1H-pyrimidine-5-carboxamide (PubChem CID 110848195) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-methyl-6-oxo-N-prop-2-enyl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-methyl-6-oxo-N-prop-2-enyl-1H-pyrimidine-5-carboxamide
PubChem CID110848195
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name2-methyl-6-oxo-N-prop-2-enyl-1H-pyrimidine-5-carboxamide
SMILESC=CCNC(=O)c1cnc(C)[nH]c1=O
InChIInChI=1S/C9H11N3O2/c1-3-4-10-8(13)7-5-11-6(2)12-9(7)14/h3,5H,1,4H2,2H3,(H,10,13)(H,11,12,14)
InChIKeyDPBVTNQEPDHRIF-UHFFFAOYSA-N
XLogP-0.01
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-oxo-N-prop-2-enyl-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-methyl-6-oxo-N-prop-2-enyl-1H-pyrimidine-5-carboxamide (CID 110848195) is 2-methyl-6-oxo-N-prop-2-enyl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-methyl-6-oxo-N-prop-2-enyl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-methyl-6-oxo-N-prop-2-enyl-1H-pyrimidine-5-carboxamide is C=CCNC(=O)c1cnc(C)[nH]c1=O.
What is the InChIKey of 2-methyl-6-oxo-N-prop-2-enyl-1H-pyrimidine-5-carboxamide?
The InChIKey is DPBVTNQEPDHRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-3-4-10-8(13)7-5-11-6(2)12-9(7)14/h3,5H,1,4H2,2H3,(H,10,13)(H,11,12,14).
What are the key properties of 2-methyl-6-oxo-N-prop-2-enyl-1H-pyrimidine-5-carboxamide?
2-methyl-6-oxo-N-prop-2-enyl-1H-pyrimidine-5-carboxamide has a molecular weight of 193.21 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-oxo-N-prop-2-enyl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 110848195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).