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

C12H14FN3O — CID 141279779

IUPAC(6S)-6-(5-amino-2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C=N[C@](C)(c2cc(N)ccc2F)CC1=O
InChIInChI=1S/C12H14FN3O/c1-12(6-11(17)16(2)7-15-12)9-5-8(14)3-4-10(9)13/h3-5,7H,6,14H2,1-2H3/t12-/m0/s1
InChIKeyPRBVEXUFUFXZJH-LBPRGKRZSA-N
MW235.26 g/mol
LogP1.51
Rot. Bonds1

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

(6S)-6-(5-amino-2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 141279779) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is (6S)-6-(5-amino-2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-6-(5-amino-2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID141279779
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name(6S)-6-(5-amino-2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C=N[C@](C)(c2cc(N)ccc2F)CC1=O
InChIInChI=1S/C12H14FN3O/c1-12(6-11(17)16(2)7-15-12)9-5-8(14)3-4-10(9)13/h3-5,7H,6,14H2,1-2H3/t12-/m0/s1
InChIKeyPRBVEXUFUFXZJH-LBPRGKRZSA-N
XLogP1.51
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(6S)-2-amino-6-(2,5-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one
CID 59388920
(6S)-2-amino-6-[2-fluoro-5-(4-methylphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 67966792
1-(5-amino-2-fluorophenyl)-4,4-dimethylpiperidine-2,6-dione
CID 62930708
(2R,5R)-5-(5-amino-2-fluorophenyl)-2,5-dimethyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-amine
CID 126634136
(5R)-5-(5-amino-2-fluorophenyl)-2-ethyl-5-methyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-amine
CID 89095033
(2Z)-2-[(4S)-2-amino-4-(5-amino-2-fluorophenyl)-4-methyl-5H-1,3-thiazin-6-ylidene]propan-1-ol
CID 58377103
2-amino-6-[5-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 58449211
6-(5-amino-2-fluorophenyl)-2-iodo-6-methyl-5H-imidazo[1,2-a]pyrazin-8-amine
CID 67984343
(6S)-2-amino-6-[2-fluoro-5-[2-oxo-2-(5-prop-1-ynyl-2-pyridinyl)ethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 161162545
(3R,6S)-3-(5-amino-2-fluorophenyl)-6-(cyclopropylmethyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
CID 89095196
tert-butyl N-[(5R)-5-(5-amino-2-fluorophenyl)-5-methyl-2,6-dihydro-1,4-oxazin-3-yl]carbamate
CID 129388884
tert-butyl N-[(4S)-4-(5-amino-2-fluorophenyl)-4-methyl-5H-1,3-oxazol-2-yl]carbamate
CID 125499635

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(5-amino-2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of (6S)-6-(5-amino-2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one (CID 141279779) is (6S)-6-(5-amino-2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for (6S)-6-(5-amino-2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for (6S)-6-(5-amino-2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one is CN1C=N[C@](C)(c2cc(N)ccc2F)CC1=O.
What is the InChIKey of (6S)-6-(5-amino-2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is PRBVEXUFUFXZJH-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-12(6-11(17)16(2)7-15-12)9-5-8(14)3-4-10(9)13/h3-5,7H,6,14H2,1-2H3/t12-/m0/s1.
What are the key properties of (6S)-6-(5-amino-2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one?
(6S)-6-(5-amino-2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 235.26 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(5-amino-2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 141279779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).