4-[(1R)-1-amino-3-methylbutyl]-2-methyl-1H-pyrimidin-6-one

C10H17N3O — CID 136922489

IUPAC4-[(1R)-1-amino-3-methylbutyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc([C@H](N)CC(C)C)cc(=O)[nH]1
InChIInChI=1S/C10H17N3O/c1-6(2)4-8(11)9-5-10(14)13-7(3)12-9/h5-6,8H,4,11H2,1-3H3,(H,12,13,14)/t8-/m1/s1
InChIKeyYWIPTFHGTUKVSI-MRVPVSSYSA-N
MW195.27 g/mol
LogP1.12
Rot. Bonds3

About 4-[(1R)-1-amino-3-methylbutyl]-2-methyl-1H-pyrimidin-6-one

4-[(1R)-1-amino-3-methylbutyl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136922489) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-[(1R)-1-amino-3-methylbutyl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1R)-1-amino-3-methylbutyl]-2-methyl-1H-pyrimidin-6-one
PubChem CID136922489
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-[(1R)-1-amino-3-methylbutyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc([C@H](N)CC(C)C)cc(=O)[nH]1
InChIInChI=1S/C10H17N3O/c1-6(2)4-8(11)9-5-10(14)13-7(3)12-9/h5-6,8H,4,11H2,1-3H3,(H,12,13,14)/t8-/m1/s1
InChIKeyYWIPTFHGTUKVSI-MRVPVSSYSA-N
XLogP1.12
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-amino-3-methylbutyl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1R)-1-amino-3-methylbutyl]-2-methyl-1H-pyrimidin-6-one (CID 136922489) is 4-[(1R)-1-amino-3-methylbutyl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1R)-1-amino-3-methylbutyl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1R)-1-amino-3-methylbutyl]-2-methyl-1H-pyrimidin-6-one is Cc1nc([C@H](N)CC(C)C)cc(=O)[nH]1.
What is the InChIKey of 4-[(1R)-1-amino-3-methylbutyl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is YWIPTFHGTUKVSI-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-6(2)4-8(11)9-5-10(14)13-7(3)12-9/h5-6,8H,4,11H2,1-3H3,(H,12,13,14)/t8-/m1/s1.
What are the key properties of 4-[(1R)-1-amino-3-methylbutyl]-2-methyl-1H-pyrimidin-6-one?
4-[(1R)-1-amino-3-methylbutyl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 195.27 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-amino-3-methylbutyl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136922489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).