1-(1-aminopentan-3-yl)pyrimidin-2-one

C9H15N3O — CID 43428359

IUPAC1-(1-aminopentan-3-yl)pyrimidin-2-one
SMILESCCC(CCN)n1cccnc1=O
InChIInChI=1S/C9H15N3O/c1-2-8(4-5-10)12-7-3-6-11-9(12)13/h3,6-8H,2,4-5,10H2,1H3
InChIKeyXRPOQCMHLSHEKI-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.54
Rot. Bonds4

About 1-(1-aminopentan-3-yl)pyrimidin-2-one

1-(1-aminopentan-3-yl)pyrimidin-2-one (PubChem CID 43428359) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-(1-aminopentan-3-yl)pyrimidin-2-one.

Molecular Properties

Compound Name1-(1-aminopentan-3-yl)pyrimidin-2-one
PubChem CID43428359
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-(1-aminopentan-3-yl)pyrimidin-2-one
SMILESCCC(CCN)n1cccnc1=O
InChIInChI=1S/C9H15N3O/c1-2-8(4-5-10)12-7-3-6-11-9(12)13/h3,6-8H,2,4-5,10H2,1H3
InChIKeyXRPOQCMHLSHEKI-UHFFFAOYSA-N
XLogP0.54
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrimidine, 1-sec-butyl-1,2-dihydro-2-oxo-
CID 66921962
1-(3-Aminopropyl)-1,2-dihydropyrimidin-2-one
CID 16786789
1-(4-Amino-1,1,1-trifluorobutan-2-yl)pyrimidin-2-one
CID 43753202
1-(Pyrrolidin-2-ylmethyl)pyrimidin-2-one
CID 61686232
N-pentyl-2H-pyrimidine-1-carboxamide
CID 66955321
1-Pentylpyrimidin-2-one
CID 67610147
3-(6-aminohexadecyl)-1H-pyrimidin-3-ium-2-one
CID 67755447
N-hexyl-2H-pyrimidine-1-carboxamide
CID 70376497
1-Pentan-2-ylpyrimidin-2-one
CID 123631104
N-propan-2-yl-2H-pyrimidine-1-carboxamide
CID 140574578
N-cyclohexyl-2H-pyrimidine-1-carboxamide
CID 140574592
3-(2-Oxopyrimidin-1-yl)pentanamide
CID 145791027

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminopentan-3-yl)pyrimidin-2-one?
The IUPAC name of 1-(1-aminopentan-3-yl)pyrimidin-2-one (CID 43428359) is 1-(1-aminopentan-3-yl)pyrimidin-2-one.
What is the SMILES notation for 1-(1-aminopentan-3-yl)pyrimidin-2-one?
The canonical SMILES for 1-(1-aminopentan-3-yl)pyrimidin-2-one is CCC(CCN)n1cccnc1=O.
What is the InChIKey of 1-(1-aminopentan-3-yl)pyrimidin-2-one?
The InChIKey is XRPOQCMHLSHEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-2-8(4-5-10)12-7-3-6-11-9(12)13/h3,6-8H,2,4-5,10H2,1H3.
What are the key properties of 1-(1-aminopentan-3-yl)pyrimidin-2-one?
1-(1-aminopentan-3-yl)pyrimidin-2-one has a molecular weight of 181.24 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminopentan-3-yl)pyrimidin-2-one is sourced from PubChem (CID 43428359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).