2-oxo-N-propan-2-yl-1H-pyrimidine-6-carboxamide

C8H11N3O2 — CID 123835953

IUPAC2-oxo-N-propan-2-yl-1H-pyrimidine-6-carboxamide
SMILESCC(C)NC(=O)c1ccnc(=O)[nH]1
InChIInChI=1S/C8H11N3O2/c1-5(2)10-7(12)6-3-4-9-8(13)11-6/h3-5H,1-2H3,(H,10,12)(H,9,11,13)
InChIKeyQHPCZNUYDFBBJB-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.09
Rot. Bonds2

About 2-oxo-N-propan-2-yl-1H-pyrimidine-6-carboxamide

2-oxo-N-propan-2-yl-1H-pyrimidine-6-carboxamide (PubChem CID 123835953) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-oxo-N-propan-2-yl-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-oxo-N-propan-2-yl-1H-pyrimidine-6-carboxamide
PubChem CID123835953
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name2-oxo-N-propan-2-yl-1H-pyrimidine-6-carboxamide
SMILESCC(C)NC(=O)c1ccnc(=O)[nH]1
InChIInChI=1S/C8H11N3O2/c1-5(2)10-7(12)6-3-4-9-8(13)11-6/h3-5H,1-2H3,(H,10,12)(H,9,11,13)
InChIKeyQHPCZNUYDFBBJB-UHFFFAOYSA-N
XLogP-0.09
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-propan-2-yl-1H-pyrimidine-6-carboxamide?
The IUPAC name of 2-oxo-N-propan-2-yl-1H-pyrimidine-6-carboxamide (CID 123835953) is 2-oxo-N-propan-2-yl-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for 2-oxo-N-propan-2-yl-1H-pyrimidine-6-carboxamide?
The canonical SMILES for 2-oxo-N-propan-2-yl-1H-pyrimidine-6-carboxamide is CC(C)NC(=O)c1ccnc(=O)[nH]1.
What is the InChIKey of 2-oxo-N-propan-2-yl-1H-pyrimidine-6-carboxamide?
The InChIKey is QHPCZNUYDFBBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-5(2)10-7(12)6-3-4-9-8(13)11-6/h3-5H,1-2H3,(H,10,12)(H,9,11,13).
What are the key properties of 2-oxo-N-propan-2-yl-1H-pyrimidine-6-carboxamide?
2-oxo-N-propan-2-yl-1H-pyrimidine-6-carboxamide has a molecular weight of 181.19 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-propan-2-yl-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 123835953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).