(6S)-6-(5-anilino-2-fluorophenyl)-3,5,5,6-tetramethyl-4H-pyrimidin-2-amine

C20H25FN4 — CID 141320536

IUPAC(6S)-6-(5-anilino-2-fluorophenyl)-3,5,5,6-tetramethyl-4H-pyrimidin-2-amine
SMILESCN1CC(C)(C)[C@@](C)(c2cc(Nc3ccccc3)ccc2F)N=C1N
InChIInChI=1S/C20H25FN4/c1-19(2)13-25(4)18(22)24-20(19,3)16-12-15(10-11-17(16)21)23-14-8-6-5-7-9-14/h5-12,23H,13H2,1-4H3,(H2,22,24)/t20-/m1/s1
InChIKeyDPNHTDLAXGHCTA-HXUWFJFHSA-N
MW340.45 g/mol
LogP4.07
Rot. Bonds3

About (6S)-6-(5-anilino-2-fluorophenyl)-3,5,5,6-tetramethyl-4H-pyrimidin-2-amine

(6S)-6-(5-anilino-2-fluorophenyl)-3,5,5,6-tetramethyl-4H-pyrimidin-2-amine (PubChem CID 141320536) has the molecular formula C20H25FN4 and a molecular weight of 340.45 g/mol. Its IUPAC name is (6S)-6-(5-anilino-2-fluorophenyl)-3,5,5,6-tetramethyl-4H-pyrimidin-2-amine.

Molecular Properties

Compound Name(6S)-6-(5-anilino-2-fluorophenyl)-3,5,5,6-tetramethyl-4H-pyrimidin-2-amine
PubChem CID141320536
Molecular FormulaC20H25FN4
Molecular Weight340.45 g/mol
Exact Mass340.21
IUPAC Name(6S)-6-(5-anilino-2-fluorophenyl)-3,5,5,6-tetramethyl-4H-pyrimidin-2-amine
SMILESCN1CC(C)(C)[C@@](C)(c2cc(Nc3ccccc3)ccc2F)N=C1N
InChIInChI=1S/C20H25FN4/c1-19(2)13-25(4)18(22)24-20(19,3)16-12-15(10-11-17(16)21)23-14-8-6-5-7-9-14/h5-12,23H,13H2,1-4H3,(H2,22,24)/t20-/m1/s1
InChIKeyDPNHTDLAXGHCTA-HXUWFJFHSA-N
XLogP4.07
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (6S)-6-(5-anilino-2-fluorophenyl)-3,5,5,6-tetramethyl-4H-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

(6S)-6-[5-(cyclopentylamino)-2-fluorophenyl]-3,5,5,6-tetramethyl-4H-pyrimidin-2-amine
CID 141320547
(6S)-2-amino-6-[2-fluoro-5-(3-fluoroanilino)phenyl]-3,5,5,6-tetramethylpyrimidin-4-one
CID 57497057
(6S)-2-amino-6-[2-fluoro-5-[(6-methyl-3-pyridinyl)amino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one
CID 57497028
(5R)-6,6-difluoro-5-[2-fluoro-5-(pyridin-3-ylamino)phenyl]-5,7,7-trimethyl-2H-1,4-oxazepin-3-amine
CID 66547827
(6S)-2-amino-6-[5-(2,4-difluoroanilino)-2-fluorophenyl]-3,5,5,6-tetramethylpyrimidin-4-one
CID 57497039
(6S)-2-amino-6-[2-fluoro-5-[(2-methylpyrazol-3-yl)amino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one
CID 57497053
4-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluoroanilino]-2-methylbenzonitrile
CID 66727840
(6S)-2-amino-6-[2-fluoro-5-[[(1R,2R)-2-phenylcyclopropyl]methylamino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one
CID 57497076
2-amino-6-[5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)amino]-2-fluorophenyl]-3,5,5,6-tetramethylpyrimidin-4-one
CID 66727628
5-(3-anilinophenyl)-5-[4-(difluoromethoxy)phenyl]-3-methyl-4H-imidazol-2-amine
CID 141217605
5-(2-fluoro-5-pyridin-3-ylphenyl)-3-methyl-5-phenyl-4H-imidazol-2-amine
CID 69301033
2-amino-6-[5-[2-(difluoromethoxy)anilino]-2-fluorophenyl]-3,5,5,6-tetramethyl-4H-pyrimidine-4-carbaldehyde
CID 174678991

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(5-anilino-2-fluorophenyl)-3,5,5,6-tetramethyl-4H-pyrimidin-2-amine?
The IUPAC name of (6S)-6-(5-anilino-2-fluorophenyl)-3,5,5,6-tetramethyl-4H-pyrimidin-2-amine (CID 141320536) is (6S)-6-(5-anilino-2-fluorophenyl)-3,5,5,6-tetramethyl-4H-pyrimidin-2-amine.
What is the SMILES notation for (6S)-6-(5-anilino-2-fluorophenyl)-3,5,5,6-tetramethyl-4H-pyrimidin-2-amine?
The canonical SMILES for (6S)-6-(5-anilino-2-fluorophenyl)-3,5,5,6-tetramethyl-4H-pyrimidin-2-amine is CN1CC(C)(C)[C@@](C)(c2cc(Nc3ccccc3)ccc2F)N=C1N.
What is the InChIKey of (6S)-6-(5-anilino-2-fluorophenyl)-3,5,5,6-tetramethyl-4H-pyrimidin-2-amine?
The InChIKey is DPNHTDLAXGHCTA-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H25FN4/c1-19(2)13-25(4)18(22)24-20(19,3)16-12-15(10-11-17(16)21)23-14-8-6-5-7-9-14/h5-12,23H,13H2,1-4H3,(H2,22,24)/t20-/m1/s1.
What are the key properties of (6S)-6-(5-anilino-2-fluorophenyl)-3,5,5,6-tetramethyl-4H-pyrimidin-2-amine?
(6S)-6-(5-anilino-2-fluorophenyl)-3,5,5,6-tetramethyl-4H-pyrimidin-2-amine has a molecular weight of 340.45 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(5-anilino-2-fluorophenyl)-3,5,5,6-tetramethyl-4H-pyrimidin-2-amine is sourced from PubChem (CID 141320536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).