(6S)-2-amino-6-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one

C15H15FN4OS — CID 59388247

IUPAC(6S)-2-amino-6-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(c2cnc(-c3ccc(F)cc3)s2)N=C1N
InChIInChI=1S/C15H15FN4OS/c1-15(7-12(21)20(2)14(17)19-15)11-8-18-13(22-11)9-3-5-10(16)6-4-9/h3-6,8H,7H2,1-2H3,(H2,17,19)/t15-/m0/s1
InChIKeyYBNVJEHAUUTXCO-HNNXBMFYSA-N
MW318.38 g/mol
LogP2.34
Rot. Bonds2

About (6S)-2-amino-6-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one

(6S)-2-amino-6-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 59388247) has the molecular formula C15H15FN4OS and a molecular weight of 318.38 g/mol. Its IUPAC name is (6S)-2-amino-6-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-6-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID59388247
Molecular FormulaC15H15FN4OS
Molecular Weight318.38 g/mol
Exact Mass318.10
IUPAC Name(6S)-2-amino-6-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(c2cnc(-c3ccc(F)cc3)s2)N=C1N
InChIInChI=1S/C15H15FN4OS/c1-15(7-12(21)20(2)14(17)19-15)11-8-18-13(22-11)9-3-5-10(16)6-4-9/h3-6,8H,7H2,1-2H3,(H2,17,19)/t15-/m0/s1
InChIKeyYBNVJEHAUUTXCO-HNNXBMFYSA-N
XLogP2.34
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-6-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of (6S)-2-amino-6-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one (CID 59388247) is (6S)-2-amino-6-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-6-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-6-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one is CN1C(=O)C[C@@](C)(c2cnc(-c3ccc(F)cc3)s2)N=C1N.
What is the InChIKey of (6S)-2-amino-6-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is YBNVJEHAUUTXCO-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H15FN4OS/c1-15(7-12(21)20(2)14(17)19-15)11-8-18-13(22-11)9-3-5-10(16)6-4-9/h3-6,8H,7H2,1-2H3,(H2,17,19)/t15-/m0/s1.
What are the key properties of (6S)-2-amino-6-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
(6S)-2-amino-6-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 318.38 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-6-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 59388247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).