(6R)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-5H-pyrimidin-4-one;2,2,2-trifluoroacetic acid

C16H20F3N3O3 — CID 73351114

IUPAC(6R)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-5H-pyrimidin-4-one;2,2,2-trifluoroacetic acid
SMILESCN1C(=O)C[C@@](C)(CCc2ccccc2)N=C1N.O=C(O)C(F)(F)F
InChIInChI=1S/C14H19N3O.C2HF3O2/c1-14(9-8-11-6-4-3-5-7-11)10-12(18)17(2)13(15)16-14;3-2(4,5)1(6)7/h3-7H,8-10H2,1-2H3,(H2,15,16);(H,6,7)/t14-;/m1./s1
InChIKeyZPTMMNXKBDAEFJ-PFEQFJNWSA-N
MW359.35 g/mol
LogP2.19
Rot. Bonds3

About (6R)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-5H-pyrimidin-4-one;2,2,2-trifluoroacetic acid

(6R)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-5H-pyrimidin-4-one;2,2,2-trifluoroacetic acid (PubChem CID 73351114) has the molecular formula C16H20F3N3O3 and a molecular weight of 359.35 g/mol. Its IUPAC name is (6R)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-5H-pyrimidin-4-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(6R)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-5H-pyrimidin-4-one;2,2,2-trifluoroacetic acid
PubChem CID73351114
Molecular FormulaC16H20F3N3O3
Molecular Weight359.35 g/mol
Exact Mass359.15
IUPAC Name(6R)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-5H-pyrimidin-4-one;2,2,2-trifluoroacetic acid
SMILESCN1C(=O)C[C@@](C)(CCc2ccccc2)N=C1N.O=C(O)C(F)(F)F
InChIInChI=1S/C14H19N3O.C2HF3O2/c1-14(9-8-11-6-4-3-5-7-11)10-12(18)17(2)13(15)16-14;3-2(4,5)1(6)7/h3-7H,8-10H2,1-2H3,(H2,15,16);(H,6,7)/t14-;/m1./s1
InChIKeyZPTMMNXKBDAEFJ-PFEQFJNWSA-N
XLogP2.19
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (6R)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-5H-pyrimidin-4-one;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

2-amino-6-[2-[3-(furan-2-yl)phenyl]ethyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 11623764
3-[2-(3-bromophenyl)ethyl]-3-methyl-4H-isoquinolin-1-amine;2,2,2-trifluoroacetic acid
CID 16730926
2-amino-6-[3-[2-(3,5-dimethyl-2-pyridinyl)-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 58449206
2-amino-3,6,6-trimethyl-5H-pyrimidin-4-one
CID 145461138
2-amino-5-[3-(aminomethyl)phenyl]-5-(3-bromophenyl)-3-methylimidazol-4-one;2,2,2-trifluoroacetic acid
CID 174572032
2-amino-5-(2-ethoxy-5-phenylphenyl)-3-methyl-5-phenylimidazol-4-one;2,2,2-trifluoroacetic acid
CID 175259689
2-amino-5-ethyl-5-(1-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)-3-methylimidazol-4-one;2,2,2-trifluoroacetic acid
CID 174572007
(6S)-2-amino-6-(2-chlorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one
CID 59388038
2-amino-3,6-dimethyl-6-[3-[2-(3-methylfuran-2-yl)-2-oxoethyl]phenyl]-5H-pyrimidin-4-one
CID 58449047
2-amino-6-[3-[2-(3-chloro-1-methylpyrazol-5-yl)-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 58448635
(6S)-2-amino-6-[5-(3-fluoro-5-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 59387482
2-amino-3,6-dimethyl-6-[3-(2-oxo-2-quinolin-2-ylethyl)phenyl]-5H-pyrimidin-4-one
CID 58448779

Frequently Asked Questions

What is the IUPAC name of (6R)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-5H-pyrimidin-4-one;2,2,2-trifluoroacetic acid?
The IUPAC name of (6R)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-5H-pyrimidin-4-one;2,2,2-trifluoroacetic acid (CID 73351114) is (6R)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-5H-pyrimidin-4-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (6R)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-5H-pyrimidin-4-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for (6R)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-5H-pyrimidin-4-one;2,2,2-trifluoroacetic acid is CN1C(=O)C[C@@](C)(CCc2ccccc2)N=C1N.O=C(O)C(F)(F)F.
What is the InChIKey of (6R)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-5H-pyrimidin-4-one;2,2,2-trifluoroacetic acid?
The InChIKey is ZPTMMNXKBDAEFJ-PFEQFJNWSA-N. The full InChI is InChI=1S/C14H19N3O.C2HF3O2/c1-14(9-8-11-6-4-3-5-7-11)10-12(18)17(2)13(15)16-14;3-2(4,5)1(6)7/h3-7H,8-10H2,1-2H3,(H2,15,16);(H,6,7)/t14-;/m1./s1.
What are the key properties of (6R)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-5H-pyrimidin-4-one;2,2,2-trifluoroacetic acid?
(6R)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-5H-pyrimidin-4-one;2,2,2-trifluoroacetic acid has a molecular weight of 359.35 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-5H-pyrimidin-4-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 73351114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).