2-(3-aminopentan-3-yl)-1H-pyrimidin-6-one

C9H15N3O — CID 63362781

IUPAC2-(3-aminopentan-3-yl)-1H-pyrimidin-6-one
SMILESCCC(N)(CC)c1nccc(=O)[nH]1
InChIInChI=1S/C9H15N3O/c1-3-9(10,4-2)8-11-6-5-7(13)12-8/h5-6H,3-4,10H2,1-2H3,(H,11,12,13)
InChIKeyUDMLFNPGMVPEJD-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.74
Rot. Bonds3

About 2-(3-aminopentan-3-yl)-1H-pyrimidin-6-one

2-(3-aminopentan-3-yl)-1H-pyrimidin-6-one (PubChem CID 63362781) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-(3-aminopentan-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-aminopentan-3-yl)-1H-pyrimidin-6-one
PubChem CID63362781
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-(3-aminopentan-3-yl)-1H-pyrimidin-6-one
SMILESCCC(N)(CC)c1nccc(=O)[nH]1
InChIInChI=1S/C9H15N3O/c1-3-9(10,4-2)8-11-6-5-7(13)12-8/h5-6H,3-4,10H2,1-2H3,(H,11,12,13)
InChIKeyUDMLFNPGMVPEJD-UHFFFAOYSA-N
XLogP0.74
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopentan-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-aminopentan-3-yl)-1H-pyrimidin-6-one (CID 63362781) is 2-(3-aminopentan-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-aminopentan-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-aminopentan-3-yl)-1H-pyrimidin-6-one is CCC(N)(CC)c1nccc(=O)[nH]1.
What is the InChIKey of 2-(3-aminopentan-3-yl)-1H-pyrimidin-6-one?
The InChIKey is UDMLFNPGMVPEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-3-9(10,4-2)8-11-6-5-7(13)12-8/h5-6H,3-4,10H2,1-2H3,(H,11,12,13).
What are the key properties of 2-(3-aminopentan-3-yl)-1H-pyrimidin-6-one?
2-(3-aminopentan-3-yl)-1H-pyrimidin-6-one has a molecular weight of 181.24 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopentan-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 63362781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).