(6S)-2-amino-6-[2-fluoro-5-(4-methylphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one

C19H20FN3O — CID 67966792

IUPAC(6S)-2-amino-6-[2-fluoro-5-(4-methylphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCc1ccc(-c2ccc(F)c([C@]3(C)CC(=O)N(C)C(N)=N3)c2)cc1
InChIInChI=1S/C19H20FN3O/c1-12-4-6-13(7-5-12)14-8-9-16(20)15(10-14)19(2)11-17(24)23(3)18(21)22-19/h4-10H,11H2,1-3H3,(H2,21,22)/t19-/m0/s1
InChIKeyVKCAMKKYYANVFU-IBGZPJMESA-N
MW325.39 g/mol
LogP3.19
Rot. Bonds2

About (6S)-2-amino-6-[2-fluoro-5-(4-methylphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one

(6S)-2-amino-6-[2-fluoro-5-(4-methylphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 67966792) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is (6S)-2-amino-6-[2-fluoro-5-(4-methylphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-6-[2-fluoro-5-(4-methylphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID67966792
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Name(6S)-2-amino-6-[2-fluoro-5-(4-methylphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCc1ccc(-c2ccc(F)c([C@]3(C)CC(=O)N(C)C(N)=N3)c2)cc1
InChIInChI=1S/C19H20FN3O/c1-12-4-6-13(7-5-12)14-8-9-16(20)15(10-14)19(2)11-17(24)23(3)18(21)22-19/h4-10H,11H2,1-3H3,(H2,21,22)/t19-/m0/s1
InChIKeyVKCAMKKYYANVFU-IBGZPJMESA-N
XLogP3.19
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.19
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-fluoro-5-(4-methylphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of (6S)-2-amino-6-[2-fluoro-5-(4-methylphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one (CID 67966792) is (6S)-2-amino-6-[2-fluoro-5-(4-methylphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-6-[2-fluoro-5-(4-methylphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-6-[2-fluoro-5-(4-methylphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one is Cc1ccc(-c2ccc(F)c([C@]3(C)CC(=O)N(C)C(N)=N3)c2)cc1.
What is the InChIKey of (6S)-2-amino-6-[2-fluoro-5-(4-methylphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is VKCAMKKYYANVFU-IBGZPJMESA-N. The full InChI is InChI=1S/C19H20FN3O/c1-12-4-6-13(7-5-12)14-8-9-16(20)15(10-14)19(2)11-17(24)23(3)18(21)22-19/h4-10H,11H2,1-3H3,(H2,21,22)/t19-/m0/s1.
What are the key properties of (6S)-2-amino-6-[2-fluoro-5-(4-methylphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one?
(6S)-2-amino-6-[2-fluoro-5-(4-methylphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 325.39 g/mol, XLogP of 3.19, 2 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-fluoro-5-(4-methylphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 67966792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).