(5R,6S)-2-amino-6-(2-fluorophenyl)-3,6-dimethyl-5-phenyl-5H-pyrimidin-4-one

C18H18FN3O — CID 25006055

IUPAC(5R,6S)-2-amino-6-(2-fluorophenyl)-3,6-dimethyl-5-phenyl-5H-pyrimidin-4-one
SMILESCN1C(=O)[C@H](c2ccccc2)[C@@](C)(c2ccccc2F)N=C1N
InChIInChI=1S/C18H18FN3O/c1-18(13-10-6-7-11-14(13)19)15(12-8-4-3-5-9-12)16(23)22(2)17(20)21-18/h3-11,15H,1-2H3,(H2,20,21)/t15-,18+/m0/s1
InChIKeyVLGCGLVVMMSSOD-MAUKXSAKSA-N
MW311.36 g/mol
LogP2.61
Rot. Bonds2

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

(5R,6S)-2-amino-6-(2-fluorophenyl)-3,6-dimethyl-5-phenyl-5H-pyrimidin-4-one (PubChem CID 25006055) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is (5R,6S)-2-amino-6-(2-fluorophenyl)-3,6-dimethyl-5-phenyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(5R,6S)-2-amino-6-(2-fluorophenyl)-3,6-dimethyl-5-phenyl-5H-pyrimidin-4-one
PubChem CID25006055
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name(5R,6S)-2-amino-6-(2-fluorophenyl)-3,6-dimethyl-5-phenyl-5H-pyrimidin-4-one
SMILESCN1C(=O)[C@H](c2ccccc2)[C@@](C)(c2ccccc2F)N=C1N
InChIInChI=1S/C18H18FN3O/c1-18(13-10-6-7-11-14(13)19)15(12-8-4-3-5-9-12)16(23)22(2)17(20)21-18/h3-11,15H,1-2H3,(H2,20,21)/t15-,18+/m0/s1
InChIKeyVLGCGLVVMMSSOD-MAUKXSAKSA-N
XLogP2.61
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R,6S)-2-amino-6-(2-fluorophenyl)-3,6-dimethyl-5-phenyl-5H-pyrimidin-4-one?
The IUPAC name of (5R,6S)-2-amino-6-(2-fluorophenyl)-3,6-dimethyl-5-phenyl-5H-pyrimidin-4-one (CID 25006055) is (5R,6S)-2-amino-6-(2-fluorophenyl)-3,6-dimethyl-5-phenyl-5H-pyrimidin-4-one.
What is the SMILES notation for (5R,6S)-2-amino-6-(2-fluorophenyl)-3,6-dimethyl-5-phenyl-5H-pyrimidin-4-one?
The canonical SMILES for (5R,6S)-2-amino-6-(2-fluorophenyl)-3,6-dimethyl-5-phenyl-5H-pyrimidin-4-one is CN1C(=O)[C@H](c2ccccc2)[C@@](C)(c2ccccc2F)N=C1N.
What is the InChIKey of (5R,6S)-2-amino-6-(2-fluorophenyl)-3,6-dimethyl-5-phenyl-5H-pyrimidin-4-one?
The InChIKey is VLGCGLVVMMSSOD-MAUKXSAKSA-N. The full InChI is InChI=1S/C18H18FN3O/c1-18(13-10-6-7-11-14(13)19)15(12-8-4-3-5-9-12)16(23)22(2)17(20)21-18/h3-11,15H,1-2H3,(H2,20,21)/t15-,18+/m0/s1.
What are the key properties of (5R,6S)-2-amino-6-(2-fluorophenyl)-3,6-dimethyl-5-phenyl-5H-pyrimidin-4-one?
(5R,6S)-2-amino-6-(2-fluorophenyl)-3,6-dimethyl-5-phenyl-5H-pyrimidin-4-one has a molecular weight of 311.36 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-2-amino-6-(2-fluorophenyl)-3,6-dimethyl-5-phenyl-5H-pyrimidin-4-one is sourced from PubChem (CID 25006055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).