5-amino-2-(3-methylbutyl)-1H-pyrimidin-6-one

C9H15N3O — CID 126974181

IUPAC5-amino-2-(3-methylbutyl)-1H-pyrimidin-6-one
SMILESCC(C)CCc1ncc(N)c(=O)[nH]1
InChIInChI=1S/C9H15N3O/c1-6(2)3-4-8-11-5-7(10)9(13)12-8/h5-6H,3-4,10H2,1-2H3,(H,11,12,13)
InChIKeyPNQBOTIAVUAEFB-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.94
Rot. Bonds3

About 5-amino-2-(3-methylbutyl)-1H-pyrimidin-6-one

5-amino-2-(3-methylbutyl)-1H-pyrimidin-6-one (PubChem CID 126974181) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-amino-2-(3-methylbutyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-2-(3-methylbutyl)-1H-pyrimidin-6-one
PubChem CID126974181
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name5-amino-2-(3-methylbutyl)-1H-pyrimidin-6-one
SMILESCC(C)CCc1ncc(N)c(=O)[nH]1
InChIInChI=1S/C9H15N3O/c1-6(2)3-4-8-11-5-7(10)9(13)12-8/h5-6H,3-4,10H2,1-2H3,(H,11,12,13)
InChIKeyPNQBOTIAVUAEFB-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 12883945
2-(2-Methylpropyl)pyrimidin-4-ol
CID 20081655
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5-amino-2-(2-methylcyclopropyl)-1H-pyrimidin-6-one
CID 20276631
5-amino-2-propan-2-yl-1H-pyrimidin-6-one
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5-amino-2-(cyclopropylmethyl)-1H-pyrimidin-6-one
CID 20276655
5-amino-2-cyclopentyl-1H-pyrimidin-6-one
CID 20276661
5-amino-2-(1-methylcyclopropyl)-1H-pyrimidin-6-one
CID 20276666
5-amino-2-cyclobutyl-1H-pyrimidin-6-one
CID 20276693
5-amino-2-cyclohexyl-1H-pyrimidin-6-one
CID 20276704
5-amino-2-pentyl-1H-pyrimidin-6-one
CID 20276715
5-Amino-2-(1,1-dimethylethyl)-4(3h)-pyrimidinone
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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-methylbutyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-2-(3-methylbutyl)-1H-pyrimidin-6-one (CID 126974181) is 5-amino-2-(3-methylbutyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-2-(3-methylbutyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-2-(3-methylbutyl)-1H-pyrimidin-6-one is CC(C)CCc1ncc(N)c(=O)[nH]1.
What is the InChIKey of 5-amino-2-(3-methylbutyl)-1H-pyrimidin-6-one?
The InChIKey is PNQBOTIAVUAEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6(2)3-4-8-11-5-7(10)9(13)12-8/h5-6H,3-4,10H2,1-2H3,(H,11,12,13).
What are the key properties of 5-amino-2-(3-methylbutyl)-1H-pyrimidin-6-one?
5-amino-2-(3-methylbutyl)-1H-pyrimidin-6-one has a molecular weight of 181.24 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-methylbutyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 126974181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).