(6R)-2-amino-6-benzyl-3,6-dimethyl-5H-pyrimidin-4-one

C13H17N3O — CID 171356952

IUPAC(6R)-2-amino-6-benzyl-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(Cc2ccccc2)N=C1N
InChIInChI=1S/C13H17N3O/c1-13(8-10-6-4-3-5-7-10)9-11(17)16(2)12(14)15-13/h3-7H,8-9H2,1-2H3,(H2,14,15)/t13-/m1/s1
InChIKeyFISUVUXCPVDERJ-CYBMUJFWSA-N
MW231.30 g/mol
LogP1.16
Rot. Bonds2

About (6R)-2-amino-6-benzyl-3,6-dimethyl-5H-pyrimidin-4-one

(6R)-2-amino-6-benzyl-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 171356952) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is (6R)-2-amino-6-benzyl-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(6R)-2-amino-6-benzyl-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID171356952
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name(6R)-2-amino-6-benzyl-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(Cc2ccccc2)N=C1N
InChIInChI=1S/C13H17N3O/c1-13(8-10-6-4-3-5-7-10)9-11(17)16(2)12(14)15-13/h3-7H,8-9H2,1-2H3,(H2,14,15)/t13-/m1/s1
InChIKeyFISUVUXCPVDERJ-CYBMUJFWSA-N
XLogP1.16
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R)-2-amino-6-benzyl-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of (6R)-2-amino-6-benzyl-3,6-dimethyl-5H-pyrimidin-4-one (CID 171356952) is (6R)-2-amino-6-benzyl-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for (6R)-2-amino-6-benzyl-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for (6R)-2-amino-6-benzyl-3,6-dimethyl-5H-pyrimidin-4-one is CN1C(=O)C[C@@](C)(Cc2ccccc2)N=C1N.
What is the InChIKey of (6R)-2-amino-6-benzyl-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is FISUVUXCPVDERJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H17N3O/c1-13(8-10-6-4-3-5-7-10)9-11(17)16(2)12(14)15-13/h3-7H,8-9H2,1-2H3,(H2,14,15)/t13-/m1/s1.
What are the key properties of (6R)-2-amino-6-benzyl-3,6-dimethyl-5H-pyrimidin-4-one?
(6R)-2-amino-6-benzyl-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 231.30 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-amino-6-benzyl-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 171356952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).