(6S)-2-amino-6-(2-chlorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one

C12H14ClN3O — CID 59388038

IUPAC(6S)-2-amino-6-(2-chlorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(c2ccccc2Cl)N=C1N
InChIInChI=1S/C12H14ClN3O/c1-12(8-5-3-4-6-9(8)13)7-10(17)16(2)11(14)15-12/h3-6H,7H2,1-2H3,(H2,14,15)/t12-/m0/s1
InChIKeyXFHNLSWZJDPTFB-LBPRGKRZSA-N
MW251.72 g/mol
LogP1.73
Rot. Bonds1

About (6S)-2-amino-6-(2-chlorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one

(6S)-2-amino-6-(2-chlorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 59388038) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is (6S)-2-amino-6-(2-chlorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-6-(2-chlorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID59388038
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name(6S)-2-amino-6-(2-chlorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(c2ccccc2Cl)N=C1N
InChIInChI=1S/C12H14ClN3O/c1-12(8-5-3-4-6-9(8)13)7-10(17)16(2)11(14)15-12/h3-6H,7H2,1-2H3,(H2,14,15)/t12-/m0/s1
InChIKeyXFHNLSWZJDPTFB-LBPRGKRZSA-N
XLogP1.73
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-6-(2-chlorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of (6S)-2-amino-6-(2-chlorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one (CID 59388038) is (6S)-2-amino-6-(2-chlorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-6-(2-chlorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-6-(2-chlorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one is CN1C(=O)C[C@@](C)(c2ccccc2Cl)N=C1N.
What is the InChIKey of (6S)-2-amino-6-(2-chlorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is XFHNLSWZJDPTFB-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-12(8-5-3-4-6-9(8)13)7-10(17)16(2)11(14)15-12/h3-6H,7H2,1-2H3,(H2,14,15)/t12-/m0/s1.
What are the key properties of (6S)-2-amino-6-(2-chlorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one?
(6S)-2-amino-6-(2-chlorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 251.72 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-6-(2-chlorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 59388038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).