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

C9H15N3O — CID 16795027

IUPAC1-(3-aminopentan-2-yl)pyrimidin-2-one
SMILESCCC(N)C(C)n1cccnc1=O
InChIInChI=1S/C9H15N3O/c1-3-8(10)7(2)12-6-4-5-11-9(12)13/h4-8H,3,10H2,1-2H3
InChIKeyCHMLFGOSSPYAIA-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.54
Rot. Bonds3

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

1-(3-aminopentan-2-yl)pyrimidin-2-one (PubChem CID 16795027) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-(3-aminopentan-2-yl)pyrimidin-2-one.

Molecular Properties

Compound Name1-(3-aminopentan-2-yl)pyrimidin-2-one
PubChem CID16795027
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-(3-aminopentan-2-yl)pyrimidin-2-one
SMILESCCC(N)C(C)n1cccnc1=O
InChIInChI=1S/C9H15N3O/c1-3-8(10)7(2)12-6-4-5-11-9(12)13/h4-8H,3,10H2,1-2H3
InChIKeyCHMLFGOSSPYAIA-UHFFFAOYSA-N
XLogP0.54
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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-(2-Aminoethyl)pyrimidin-2(1H)-one
CID 16787020
1-(3-Amino-1,1,1-trifluoropropan-2-yl)pyrimidin-2-one
CID 43752779
1-(4-Amino-1,1,1-trifluorobutan-2-yl)pyrimidin-2-one
CID 43753202
1-[(3R)-pyrrolidin-3-yl]pyrimidin-2-one
CID 20792001
1-[(3S)-pyrrolidin-3-yl]pyrimidin-2-one
CID 20792003
1-Pyrrolidin-3-ylpyrimidin-2-one
CID 22474679
1-(Pyrrolidin-2-ylmethyl)pyrimidin-2-one
CID 61686232
N-pentyl-2H-pyrimidine-1-carboxamide
CID 66955321
1-Pentan-2-ylpyrimidin-2-one
CID 123631104
N-propan-2-yl-2H-pyrimidine-1-carboxamide
CID 140574578
1-Pentan-3-ylpyrimidin-2-one
CID 170116993

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopentan-2-yl)pyrimidin-2-one?
The IUPAC name of 1-(3-aminopentan-2-yl)pyrimidin-2-one (CID 16795027) is 1-(3-aminopentan-2-yl)pyrimidin-2-one.
What is the SMILES notation for 1-(3-aminopentan-2-yl)pyrimidin-2-one?
The canonical SMILES for 1-(3-aminopentan-2-yl)pyrimidin-2-one is CCC(N)C(C)n1cccnc1=O.
What is the InChIKey of 1-(3-aminopentan-2-yl)pyrimidin-2-one?
The InChIKey is CHMLFGOSSPYAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-3-8(10)7(2)12-6-4-5-11-9(12)13/h4-8H,3,10H2,1-2H3.
What are the key properties of 1-(3-aminopentan-2-yl)pyrimidin-2-one?
1-(3-aminopentan-2-yl)pyrimidin-2-one has a molecular weight of 181.24 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopentan-2-yl)pyrimidin-2-one is sourced from PubChem (CID 16795027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).