5-(4-aminobut-1-enyl)-1H-pyrimidin-2-one

C8H11N3O — CID 170487921

IUPAC5-(4-aminobut-1-enyl)-1H-pyrimidin-2-one
SMILESNCCC=Cc1cnc(=O)[nH]c1
InChIInChI=1S/C8H11N3O/c9-4-2-1-3-7-5-10-8(12)11-6-7/h1,3,5-6H,2,4,9H2,(H,10,11,12)
InChIKeyPJNBNKIDAUYEAY-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.13
Rot. Bonds3

About 5-(4-aminobut-1-enyl)-1H-pyrimidin-2-one

5-(4-aminobut-1-enyl)-1H-pyrimidin-2-one (PubChem CID 170487921) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 5-(4-aminobut-1-enyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-(4-aminobut-1-enyl)-1H-pyrimidin-2-one
PubChem CID170487921
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name5-(4-aminobut-1-enyl)-1H-pyrimidin-2-one
SMILESNCCC=Cc1cnc(=O)[nH]c1
InChIInChI=1S/C8H11N3O/c9-4-2-1-3-7-5-10-8(12)11-6-7/h1,3,5-6H,2,4,9H2,(H,10,11,12)
InChIKeyPJNBNKIDAUYEAY-UHFFFAOYSA-N
XLogP0.13
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethenyl-1H-pyrimidin-2-one
CID 45080150
9H-fluoren-9-ylmethyl N-[4-(2-oxo-1H-pyrimidin-5-yl)but-3-enyl]carbamate
CID 170493281
6-(4-aminobut-1-enyl)-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 170487116
4-(6-chloro-3-pyridinyl)but-3-en-1-amine
CID 170486456
5-(aminomethoxy)-1H-pyrimidin-2-one
CID 117231127
4-(4-fluorophenyl)but-3-en-1-amine
CID 56986139
4-(4-aminobut-1-enyl)benzaldehyde
CID 170486569
6-(4-aminobut-1-enyl)-2H-phthalazin-1-one
CID 170487643
5-(4-aminobut-1-enyl)-1H-imidazol-2-amine
CID 91180702
5-(hydroxymethyl)-1H-pyrimidin-2-one
CID 45080272
5-[4-[2-fluoro-4-(6-hydroxyhept-1-enyl)phenyl]phenyl]-1H-pyrimidin-2-one
CID 54458157
5-(4-aminobut-1-enyl)-3-methylpyridine-2-carbonitrile
CID 170486897

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminobut-1-enyl)-1H-pyrimidin-2-one?
The IUPAC name of 5-(4-aminobut-1-enyl)-1H-pyrimidin-2-one (CID 170487921) is 5-(4-aminobut-1-enyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 5-(4-aminobut-1-enyl)-1H-pyrimidin-2-one?
The canonical SMILES for 5-(4-aminobut-1-enyl)-1H-pyrimidin-2-one is NCCC=Cc1cnc(=O)[nH]c1.
What is the InChIKey of 5-(4-aminobut-1-enyl)-1H-pyrimidin-2-one?
The InChIKey is PJNBNKIDAUYEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c9-4-2-1-3-7-5-10-8(12)11-6-7/h1,3,5-6H,2,4,9H2,(H,10,11,12).
What are the key properties of 5-(4-aminobut-1-enyl)-1H-pyrimidin-2-one?
5-(4-aminobut-1-enyl)-1H-pyrimidin-2-one has a molecular weight of 165.20 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminobut-1-enyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 170487921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).