5-(4-aminopent-1-enyl)-1H-pyrimidin-6-one

C9H13N3O — CID 68649411

IUPAC5-(4-aminopent-1-enyl)-1H-pyrimidin-6-one
SMILESCC(N)CC=Cc1cnc[nH]c1=O
InChIInChI=1S/C9H13N3O/c1-7(10)3-2-4-8-5-11-6-12-9(8)13/h2,4-7H,3,10H2,1H3,(H,11,12,13)
InChIKeyWFZOTTWUEQVHFR-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.52
Rot. Bonds3

About 5-(4-aminopent-1-enyl)-1H-pyrimidin-6-one

5-(4-aminopent-1-enyl)-1H-pyrimidin-6-one (PubChem CID 68649411) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 5-(4-aminopent-1-enyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(4-aminopent-1-enyl)-1H-pyrimidin-6-one
PubChem CID68649411
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name5-(4-aminopent-1-enyl)-1H-pyrimidin-6-one
SMILESCC(N)CC=Cc1cnc[nH]c1=O
InChIInChI=1S/C9H13N3O/c1-7(10)3-2-4-8-5-11-6-12-9(8)13/h2,4-7H,3,10H2,1H3,(H,11,12,13)
InChIKeyWFZOTTWUEQVHFR-UHFFFAOYSA-N
XLogP0.52
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-(methylamino)prop-1-enyl]-1H-pyrimidin-6-one
CID 169473083
4-(6-oxo-1H-pyrimidin-5-yl)but-3-enoic acid
CID 170483047
ethyl 3-(6-oxo-1H-pyrimidin-5-yl)prop-2-enoate
CID 169480007
(2R)-1-(1H-imidazol-5-yl)propan-2-amine chloride
CID 53313193
5-(4-aminopent-1-enyl)pyridin-2-amine
CID 67423049
5-[(E,4S)-4-aminopent-1-enyl]pyridine-3-carboxamide;dihydrochloride
CID 178024402
5-(ethoxymethyl)-1H-pyrimidin-6-one
CID 119094005
5-(3-oxobutan-2-yl)-1H-pyrimidin-6-one
CID 91358606
5-propyl-1H-pyrimidin-6-one
CID 45080420
carbon dioxide;1-(1H-imidazol-5-yl)ethanamine
CID 176541381
(1S)-1-(1H-imidazol-5-yl)propan-1-amine
CID 68653540
2-amino-3-(6-oxo-1H-pyrimidin-5-yl)propanoic acid;hydrochloride
CID 138991408

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminopent-1-enyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(4-aminopent-1-enyl)-1H-pyrimidin-6-one (CID 68649411) is 5-(4-aminopent-1-enyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(4-aminopent-1-enyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(4-aminopent-1-enyl)-1H-pyrimidin-6-one is CC(N)CC=Cc1cnc[nH]c1=O.
What is the InChIKey of 5-(4-aminopent-1-enyl)-1H-pyrimidin-6-one?
The InChIKey is WFZOTTWUEQVHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-7(10)3-2-4-8-5-11-6-12-9(8)13/h2,4-7H,3,10H2,1H3,(H,11,12,13).
What are the key properties of 5-(4-aminopent-1-enyl)-1H-pyrimidin-6-one?
5-(4-aminopent-1-enyl)-1H-pyrimidin-6-one has a molecular weight of 179.22 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminopent-1-enyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 68649411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).