4-amino-1-(3-methylpentan-3-yl)pyrimidin-2-one

C10H17N3O — CID 155393177

IUPAC4-amino-1-(3-methylpentan-3-yl)pyrimidin-2-one
SMILESCCC(C)(CC)n1ccc(N)nc1=O
InChIInChI=1S/C10H17N3O/c1-4-10(3,5-2)13-7-6-8(11)12-9(13)14/h6-7H,4-5H2,1-3H3,(H2,11,12,14)
InChIKeyZBLTVMAXJYHDEK-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.36
Rot. Bonds3

About 4-amino-1-(3-methylpentan-3-yl)pyrimidin-2-one

4-amino-1-(3-methylpentan-3-yl)pyrimidin-2-one (PubChem CID 155393177) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-amino-1-(3-methylpentan-3-yl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-(3-methylpentan-3-yl)pyrimidin-2-one
PubChem CID155393177
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-amino-1-(3-methylpentan-3-yl)pyrimidin-2-one
SMILESCCC(C)(CC)n1ccc(N)nc1=O
InChIInChI=1S/C10H17N3O/c1-4-10(3,5-2)13-7-6-8(11)12-9(13)14/h6-7H,4-5H2,1-3H3,(H2,11,12,14)
InChIKeyZBLTVMAXJYHDEK-UHFFFAOYSA-N
XLogP1.36
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-methylpyrimidin-2-one;propane
CID 143278150
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CID 71170305
4-amino-1-methylpyrimidin-2-one;hydrobromide
CID 91983314
1-(3-methylpentan-3-yl)pyrrolo[2,3-b]pyridin-5-amine
CID 170312800
(4-amino-2-oxopyrimidin-1-yl)-butyl-dimethylazanium
CID 123671048
1-acetyl-4-aminopyrimidin-2-one;methane
CID 174689479
4-amino-1-prop-1-en-2-ylpyrimidin-2-one
CID 145434228
4-amino-1-tridecan-6-ylpyrimidin-2-one
CID 135183581
4-amino-1-naphthalen-1-ylpyrimidin-2-one
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4-amino-1-[di(propan-2-yl)amino]pyrimidin-2-one
CID 167149217
4-amino-1-[(2S,5S)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidin-2-one
CID 59015693
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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-methylpentan-3-yl)pyrimidin-2-one?
The IUPAC name of 4-amino-1-(3-methylpentan-3-yl)pyrimidin-2-one (CID 155393177) is 4-amino-1-(3-methylpentan-3-yl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-(3-methylpentan-3-yl)pyrimidin-2-one?
The canonical SMILES for 4-amino-1-(3-methylpentan-3-yl)pyrimidin-2-one is CCC(C)(CC)n1ccc(N)nc1=O.
What is the InChIKey of 4-amino-1-(3-methylpentan-3-yl)pyrimidin-2-one?
The InChIKey is ZBLTVMAXJYHDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-4-10(3,5-2)13-7-6-8(11)12-9(13)14/h6-7H,4-5H2,1-3H3,(H2,11,12,14).
What are the key properties of 4-amino-1-(3-methylpentan-3-yl)pyrimidin-2-one?
4-amino-1-(3-methylpentan-3-yl)pyrimidin-2-one has a molecular weight of 195.27 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-methylpentan-3-yl)pyrimidin-2-one is sourced from PubChem (CID 155393177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).