N-(2-oxo-1H-pyrimidin-5-yl)propanamide

C7H9N3O2 — CID 130249603

IUPACN-(2-oxo-1H-pyrimidin-5-yl)propanamide
SMILESCCC(=O)Nc1cnc(=O)[nH]c1
InChIInChI=1S/C7H9N3O2/c1-2-6(11)10-5-3-8-7(12)9-4-5/h3-4H,2H2,1H3,(H,10,11)(H,8,9,12)
InChIKeyZHQJOIQLXRXFSQ-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.12
Rot. Bonds2

About N-(2-oxo-1H-pyrimidin-5-yl)propanamide

N-(2-oxo-1H-pyrimidin-5-yl)propanamide (PubChem CID 130249603) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is N-(2-oxo-1H-pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-(2-oxo-1H-pyrimidin-5-yl)propanamide
PubChem CID130249603
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC NameN-(2-oxo-1H-pyrimidin-5-yl)propanamide
SMILESCCC(=O)Nc1cnc(=O)[nH]c1
InChIInChI=1S/C7H9N3O2/c1-2-6(11)10-5-3-8-7(12)9-4-5/h3-4H,2H2,1H3,(H,10,11)(H,8,9,12)
InChIKeyZHQJOIQLXRXFSQ-UHFFFAOYSA-N
XLogP0.12
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)pyrimidin-5-yl]propanamide
CID 91967806
N-[6-(4-fluoroanilino)-3-pyridinyl]propanamide
CID 113018289
N-[6-[6-[5-(propanoylamino)-2-pyridinyl]-1,2,4,5-tetrazin-3-yl]-3-pyridinyl]propanamide
CID 160672212
N-(2-phenylpyrimidin-5-yl)propanamide
CID 53014772
4-(propanoylamino)-N-propan-2-yl-1H-pyrrole-2-carboxamide
CID 142333117
N-[6-(4-methoxyanilino)-3-pyridinyl]propanamide
CID 113019477
N-[5-(propylamino)-2-pyridinyl]propanamide
CID 113023412
5-(hydroxymethyl)-1H-pyrimidin-2-one
CID 45080272
2-[(2-oxo-1H-pyrimidin-5-yl)amino]benzoic acid
CID 115038092
5-[4-(aminomethyl)anilino]-1H-pyrimidin-2-one
CID 115029547
5-(4-aminoanilino)-1H-pyrimidin-2-one
CID 115022517
N-[4-(1H-imidazol-2-ylmethylamino)phenyl]propanamide
CID 54976515

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1H-pyrimidin-5-yl)propanamide?
The IUPAC name of N-(2-oxo-1H-pyrimidin-5-yl)propanamide (CID 130249603) is N-(2-oxo-1H-pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-(2-oxo-1H-pyrimidin-5-yl)propanamide?
The canonical SMILES for N-(2-oxo-1H-pyrimidin-5-yl)propanamide is CCC(=O)Nc1cnc(=O)[nH]c1.
What is the InChIKey of N-(2-oxo-1H-pyrimidin-5-yl)propanamide?
The InChIKey is ZHQJOIQLXRXFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-2-6(11)10-5-3-8-7(12)9-4-5/h3-4H,2H2,1H3,(H,10,11)(H,8,9,12).
What are the key properties of N-(2-oxo-1H-pyrimidin-5-yl)propanamide?
N-(2-oxo-1H-pyrimidin-5-yl)propanamide has a molecular weight of 167.17 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1H-pyrimidin-5-yl)propanamide is sourced from PubChem (CID 130249603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).