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

C12H13F2N3O — CID 59388920

IUPAC(6S)-2-amino-6-(2,5-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(c2cc(F)ccc2F)N=C1N
InChIInChI=1S/C12H13F2N3O/c1-12(6-10(18)17(2)11(15)16-12)8-5-7(13)3-4-9(8)14/h3-5H,6H2,1-2H3,(H2,15,16)/t12-/m0/s1
InChIKeySBMNEHSRIRAZQY-LBPRGKRZSA-N
MW253.25 g/mol
LogP1.36
Rot. Bonds1

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

(6S)-2-amino-6-(2,5-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 59388920) has the molecular formula C12H13F2N3O and a molecular weight of 253.25 g/mol. Its IUPAC name is (6S)-2-amino-6-(2,5-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-6-(2,5-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID59388920
Molecular FormulaC12H13F2N3O
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name(6S)-2-amino-6-(2,5-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(c2cc(F)ccc2F)N=C1N
InChIInChI=1S/C12H13F2N3O/c1-12(6-10(18)17(2)11(15)16-12)8-5-7(13)3-4-9(8)14/h3-5H,6H2,1-2H3,(H2,15,16)/t12-/m0/s1
InChIKeySBMNEHSRIRAZQY-LBPRGKRZSA-N
XLogP1.36
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.36
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-(2,5-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of (6S)-2-amino-6-(2,5-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one (CID 59388920) is (6S)-2-amino-6-(2,5-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-6-(2,5-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-6-(2,5-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one is CN1C(=O)C[C@@](C)(c2cc(F)ccc2F)N=C1N.
What is the InChIKey of (6S)-2-amino-6-(2,5-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is SBMNEHSRIRAZQY-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H13F2N3O/c1-12(6-10(18)17(2)11(15)16-12)8-5-7(13)3-4-9(8)14/h3-5H,6H2,1-2H3,(H2,15,16)/t12-/m0/s1.
What are the key properties of (6S)-2-amino-6-(2,5-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one?
(6S)-2-amino-6-(2,5-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 253.25 g/mol, XLogP of 1.36, 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-(2,5-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 59388920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).