6-[(1R)-1-amino-3-methylbutyl]-1H-pyrimidin-2-one

C9H15N3O — CID 82408369

IUPAC6-[(1R)-1-amino-3-methylbutyl]-1H-pyrimidin-2-one
SMILESCC(C)C[C@@H](N)c1ccnc(=O)[nH]1
InChIInChI=1S/C9H15N3O/c1-6(2)5-7(10)8-3-4-11-9(13)12-8/h3-4,6-7H,5,10H2,1-2H3,(H,11,12,13)/t7-/m1/s1
InChIKeyYVMLMBJVFUCWSM-SSDOTTSWSA-N
MW181.24 g/mol
LogP0.82
Rot. Bonds3

About 6-[(1R)-1-amino-3-methylbutyl]-1H-pyrimidin-2-one

6-[(1R)-1-amino-3-methylbutyl]-1H-pyrimidin-2-one (PubChem CID 82408369) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 6-[(1R)-1-amino-3-methylbutyl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[(1R)-1-amino-3-methylbutyl]-1H-pyrimidin-2-one
PubChem CID82408369
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name6-[(1R)-1-amino-3-methylbutyl]-1H-pyrimidin-2-one
SMILESCC(C)C[C@@H](N)c1ccnc(=O)[nH]1
InChIInChI=1S/C9H15N3O/c1-6(2)5-7(10)8-3-4-11-9(13)12-8/h3-4,6-7H,5,10H2,1-2H3,(H,11,12,13)/t7-/m1/s1
InChIKeyYVMLMBJVFUCWSM-SSDOTTSWSA-N
XLogP0.82
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 ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-amino-3-methylbutyl]-1H-pyrimidin-2-one?
The IUPAC name of 6-[(1R)-1-amino-3-methylbutyl]-1H-pyrimidin-2-one (CID 82408369) is 6-[(1R)-1-amino-3-methylbutyl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[(1R)-1-amino-3-methylbutyl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[(1R)-1-amino-3-methylbutyl]-1H-pyrimidin-2-one is CC(C)C[C@@H](N)c1ccnc(=O)[nH]1.
What is the InChIKey of 6-[(1R)-1-amino-3-methylbutyl]-1H-pyrimidin-2-one?
The InChIKey is YVMLMBJVFUCWSM-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6(2)5-7(10)8-3-4-11-9(13)12-8/h3-4,6-7H,5,10H2,1-2H3,(H,11,12,13)/t7-/m1/s1.
What are the key properties of 6-[(1R)-1-amino-3-methylbutyl]-1H-pyrimidin-2-one?
6-[(1R)-1-amino-3-methylbutyl]-1H-pyrimidin-2-one has a molecular weight of 181.24 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-amino-3-methylbutyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 82408369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).