(6S)-2-amino-6-[5-(3,3-dimethylbutyl)-2-fluorophenyl]-3,5,5,6-tetramethylpyrimidin-4-one

C20H30FN3O — CID 58082780

IUPAC(6S)-2-amino-6-[5-(3,3-dimethylbutyl)-2-fluorophenyl]-3,5,5,6-tetramethylpyrimidin-4-one
SMILESCN1C(=O)C(C)(C)[C@@](C)(c2cc(CCC(C)(C)C)ccc2F)N=C1N
InChIInChI=1S/C20H30FN3O/c1-18(2,3)11-10-13-8-9-15(21)14(12-13)20(6)19(4,5)16(25)24(7)17(22)23-20/h8-9,12H,10-11H2,1-7H3,(H2,22,23)/t20-/m1/s1
InChIKeyZRCIUKKHXMWEHY-HXUWFJFHSA-N
MW347.48 g/mol
LogP3.83
Rot. Bonds3

About (6S)-2-amino-6-[5-(3,3-dimethylbutyl)-2-fluorophenyl]-3,5,5,6-tetramethylpyrimidin-4-one

(6S)-2-amino-6-[5-(3,3-dimethylbutyl)-2-fluorophenyl]-3,5,5,6-tetramethylpyrimidin-4-one (PubChem CID 58082780) has the molecular formula C20H30FN3O and a molecular weight of 347.48 g/mol. Its IUPAC name is (6S)-2-amino-6-[5-(3,3-dimethylbutyl)-2-fluorophenyl]-3,5,5,6-tetramethylpyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-6-[5-(3,3-dimethylbutyl)-2-fluorophenyl]-3,5,5,6-tetramethylpyrimidin-4-one
PubChem CID58082780
Molecular FormulaC20H30FN3O
Molecular Weight347.48 g/mol
Exact Mass347.24
IUPAC Name(6S)-2-amino-6-[5-(3,3-dimethylbutyl)-2-fluorophenyl]-3,5,5,6-tetramethylpyrimidin-4-one
SMILESCN1C(=O)C(C)(C)[C@@](C)(c2cc(CCC(C)(C)C)ccc2F)N=C1N
InChIInChI=1S/C20H30FN3O/c1-18(2,3)11-10-13-8-9-15(21)14(12-13)20(6)19(4,5)16(25)24(7)17(22)23-20/h8-9,12H,10-11H2,1-7H3,(H2,22,23)/t20-/m1/s1
InChIKeyZRCIUKKHXMWEHY-HXUWFJFHSA-N
XLogP3.83
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6S)-2-amino-6-[5-(3,3-dimethylbutyl)-2-fluorophenyl]-3,5,5,6-tetramethylpyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 15054176
CID 15054176
CID 16050931
CID 16050931
CID 57843806
CID 57843806
CID 59262486
CID 59262486
CID 155510649
CID 155510649
CID 22426113
CID 22426113
CID 70681035
CID 70681035
CID 70683157
CID 70683157
CID 155522872
CID 155522872
CID 155536581
CID 155536581
CID 11638363
CID 11638363
CID 23731036
CID 23731036

Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-6-[5-(3,3-dimethylbutyl)-2-fluorophenyl]-3,5,5,6-tetramethylpyrimidin-4-one?
The IUPAC name of (6S)-2-amino-6-[5-(3,3-dimethylbutyl)-2-fluorophenyl]-3,5,5,6-tetramethylpyrimidin-4-one (CID 58082780) is (6S)-2-amino-6-[5-(3,3-dimethylbutyl)-2-fluorophenyl]-3,5,5,6-tetramethylpyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-6-[5-(3,3-dimethylbutyl)-2-fluorophenyl]-3,5,5,6-tetramethylpyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-6-[5-(3,3-dimethylbutyl)-2-fluorophenyl]-3,5,5,6-tetramethylpyrimidin-4-one is CN1C(=O)C(C)(C)[C@@](C)(c2cc(CCC(C)(C)C)ccc2F)N=C1N.
What is the InChIKey of (6S)-2-amino-6-[5-(3,3-dimethylbutyl)-2-fluorophenyl]-3,5,5,6-tetramethylpyrimidin-4-one?
The InChIKey is ZRCIUKKHXMWEHY-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H30FN3O/c1-18(2,3)11-10-13-8-9-15(21)14(12-13)20(6)19(4,5)16(25)24(7)17(22)23-20/h8-9,12H,10-11H2,1-7H3,(H2,22,23)/t20-/m1/s1.
What are the key properties of (6S)-2-amino-6-[5-(3,3-dimethylbutyl)-2-fluorophenyl]-3,5,5,6-tetramethylpyrimidin-4-one?
(6S)-2-amino-6-[5-(3,3-dimethylbutyl)-2-fluorophenyl]-3,5,5,6-tetramethylpyrimidin-4-one has a molecular weight of 347.48 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-6-[5-(3,3-dimethylbutyl)-2-fluorophenyl]-3,5,5,6-tetramethylpyrimidin-4-one is sourced from PubChem (CID 58082780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).