(4S,5R)-5-(4-tert-butylphenyl)-4-(4-fluorophenyl)-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine

C23H28FN3 — CID 70136085

IUPAC(4S,5R)-5-(4-tert-butylphenyl)-4-(4-fluorophenyl)-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine
SMILESC=C1[C@@H](c2ccc(C(C)(C)C)cc2)[C@@](C)(c2ccc(F)cc2)N=C(N)N1C
InChIInChI=1S/C23H28FN3/c1-15-20(16-7-9-17(10-8-16)22(2,3)4)23(5,26-21(25)27(15)6)18-11-13-19(24)14-12-18/h7-14,20H,1H2,2-6H3,(H2,25,26)/t20-,23+/m0/s1
InChIKeySTQUDFKAKJJYID-NZQKXSOJSA-N
MW365.50 g/mol
LogP4.90
Rot. Bonds2

About (4S,5R)-5-(4-tert-butylphenyl)-4-(4-fluorophenyl)-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine

(4S,5R)-5-(4-tert-butylphenyl)-4-(4-fluorophenyl)-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine (PubChem CID 70136085) has the molecular formula C23H28FN3 and a molecular weight of 365.50 g/mol. Its IUPAC name is (4S,5R)-5-(4-tert-butylphenyl)-4-(4-fluorophenyl)-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine.

Molecular Properties

Compound Name(4S,5R)-5-(4-tert-butylphenyl)-4-(4-fluorophenyl)-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine
PubChem CID70136085
Molecular FormulaC23H28FN3
Molecular Weight365.50 g/mol
Exact Mass365.23
IUPAC Name(4S,5R)-5-(4-tert-butylphenyl)-4-(4-fluorophenyl)-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine
SMILESC=C1[C@@H](c2ccc(C(C)(C)C)cc2)[C@@](C)(c2ccc(F)cc2)N=C(N)N1C
InChIInChI=1S/C23H28FN3/c1-15-20(16-7-9-17(10-8-16)22(2,3)4)23(5,26-21(25)27(15)6)18-11-13-19(24)14-12-18/h7-14,20H,1H2,2-6H3,(H2,25,26)/t20-,23+/m0/s1
InChIKeySTQUDFKAKJJYID-NZQKXSOJSA-N
XLogP4.90
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S,5R)-5-(4-tert-butylphenyl)-4-(4-fluorophenyl)-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine 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

(5S,6S)-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,3-difluorophenyl)-3,6-dimethyl-4,5-dihydropyrimidin-2-amine
CID 59387630
2-[(4-Tert-butylphenyl)methyl]-1-cyano-3-[2-(3-fluorophenyl)ethyl]guanidine
CID 59684461
2-[(4-Tert-butylphenyl)methyl]-1-cyano-3-[(2-fluorophenyl)methyl]guanidine
CID 59684479
6-[3-(4-Fluorophenyl)phenyl]-3,6-dimethyl-4,5-dihydropyrimidin-2-amine
CID 68929019
1-[3-[(4S,5R)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-methylidene-5H-pyrimidin-4-yl]phenyl]cyclopropane-1-carbonitrile
CID 70135717
(4S,5R)-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-methylidene-4-(3-methylphenyl)-5H-pyrimidin-2-amine
CID 70135751
(4S,5R)-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-methylidene-4-(2,4,6-trifluorophenyl)-5H-pyrimidin-2-amine
CID 70135763
(4S,5R)-5-(4-tert-butylphenyl)-4-(2,4-difluorophenyl)-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine
CID 70135805
(4S,5R)-4-(4-fluorophenyl)-1,4-dimethyl-6-methylidene-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-2-amine
CID 70135959
(4S,5R)-5-[4-(1,1-difluoroethyl)phenyl]-4-(3-fluorophenyl)-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine
CID 70135985
3-[(4S,5R)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-methylidene-5H-pyrimidin-4-yl]benzonitrile
CID 70136103
(4S,5R)-4-(4-fluoro-3-pentylphenyl)-1,4-dimethyl-6-methylidene-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-2-amine
CID 70136177

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-(4-tert-butylphenyl)-4-(4-fluorophenyl)-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine?
The IUPAC name of (4S,5R)-5-(4-tert-butylphenyl)-4-(4-fluorophenyl)-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine (CID 70136085) is (4S,5R)-5-(4-tert-butylphenyl)-4-(4-fluorophenyl)-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine.
What is the SMILES notation for (4S,5R)-5-(4-tert-butylphenyl)-4-(4-fluorophenyl)-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine?
The canonical SMILES for (4S,5R)-5-(4-tert-butylphenyl)-4-(4-fluorophenyl)-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine is C=C1[C@@H](c2ccc(C(C)(C)C)cc2)[C@@](C)(c2ccc(F)cc2)N=C(N)N1C.
What is the InChIKey of (4S,5R)-5-(4-tert-butylphenyl)-4-(4-fluorophenyl)-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine?
The InChIKey is STQUDFKAKJJYID-NZQKXSOJSA-N. The full InChI is InChI=1S/C23H28FN3/c1-15-20(16-7-9-17(10-8-16)22(2,3)4)23(5,26-21(25)27(15)6)18-11-13-19(24)14-12-18/h7-14,20H,1H2,2-6H3,(H2,25,26)/t20-,23+/m0/s1.
What are the key properties of (4S,5R)-5-(4-tert-butylphenyl)-4-(4-fluorophenyl)-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine?
(4S,5R)-5-(4-tert-butylphenyl)-4-(4-fluorophenyl)-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine has a molecular weight of 365.50 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-(4-tert-butylphenyl)-4-(4-fluorophenyl)-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine is sourced from PubChem (CID 70136085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).