(4S,6S)-4-(2,4-difluorophenyl)-4-methyl-6-pyrimidin-5-yl-5,6-dihydro-1,3-thiazin-2-amine

C15H14F2N4S — CID 90253396

IUPAC(4S,6S)-4-(2,4-difluorophenyl)-4-methyl-6-pyrimidin-5-yl-5,6-dihydro-1,3-thiazin-2-amine
SMILESC[C@@]1(c2ccc(F)cc2F)C[C@@H](c2cncnc2)SC(N)=N1
InChIInChI=1S/C15H14F2N4S/c1-15(11-3-2-10(16)4-12(11)17)5-13(22-14(18)21-15)9-6-19-8-20-7-9/h2-4,6-8,13H,5H2,1H3,(H2,18,21)/t13-,15-/m0/s1
InChIKeyAHFBBIPUKVCJEP-ZFWWWQNUSA-N
MW320.37 g/mol
LogP3.16
Rot. Bonds2

About (4S,6S)-4-(2,4-difluorophenyl)-4-methyl-6-pyrimidin-5-yl-5,6-dihydro-1,3-thiazin-2-amine

(4S,6S)-4-(2,4-difluorophenyl)-4-methyl-6-pyrimidin-5-yl-5,6-dihydro-1,3-thiazin-2-amine (PubChem CID 90253396) has the molecular formula C15H14F2N4S and a molecular weight of 320.37 g/mol. Its IUPAC name is (4S,6S)-4-(2,4-difluorophenyl)-4-methyl-6-pyrimidin-5-yl-5,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name(4S,6S)-4-(2,4-difluorophenyl)-4-methyl-6-pyrimidin-5-yl-5,6-dihydro-1,3-thiazin-2-amine
PubChem CID90253396
Molecular FormulaC15H14F2N4S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC Name(4S,6S)-4-(2,4-difluorophenyl)-4-methyl-6-pyrimidin-5-yl-5,6-dihydro-1,3-thiazin-2-amine
SMILESC[C@@]1(c2ccc(F)cc2F)C[C@@H](c2cncnc2)SC(N)=N1
InChIInChI=1S/C15H14F2N4S/c1-15(11-3-2-10(16)4-12(11)17)5-13(22-14(18)21-15)9-6-19-8-20-7-9/h2-4,6-8,13H,5H2,1H3,(H2,18,21)/t13-,15-/m0/s1
InChIKeyAHFBBIPUKVCJEP-ZFWWWQNUSA-N
XLogP3.16
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4S,6S)-4-(2,4-difluorophenyl)-4-methyl-6-pyrimidin-5-yl-5,6-dihydro-1,3-thiazin-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

Frequently Asked Questions

What is the IUPAC name of (4S,6S)-4-(2,4-difluorophenyl)-4-methyl-6-pyrimidin-5-yl-5,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of (4S,6S)-4-(2,4-difluorophenyl)-4-methyl-6-pyrimidin-5-yl-5,6-dihydro-1,3-thiazin-2-amine (CID 90253396) is (4S,6S)-4-(2,4-difluorophenyl)-4-methyl-6-pyrimidin-5-yl-5,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for (4S,6S)-4-(2,4-difluorophenyl)-4-methyl-6-pyrimidin-5-yl-5,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for (4S,6S)-4-(2,4-difluorophenyl)-4-methyl-6-pyrimidin-5-yl-5,6-dihydro-1,3-thiazin-2-amine is C[C@@]1(c2ccc(F)cc2F)C[C@@H](c2cncnc2)SC(N)=N1.
What is the InChIKey of (4S,6S)-4-(2,4-difluorophenyl)-4-methyl-6-pyrimidin-5-yl-5,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is AHFBBIPUKVCJEP-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H14F2N4S/c1-15(11-3-2-10(16)4-12(11)17)5-13(22-14(18)21-15)9-6-19-8-20-7-9/h2-4,6-8,13H,5H2,1H3,(H2,18,21)/t13-,15-/m0/s1.
What are the key properties of (4S,6S)-4-(2,4-difluorophenyl)-4-methyl-6-pyrimidin-5-yl-5,6-dihydro-1,3-thiazin-2-amine?
(4S,6S)-4-(2,4-difluorophenyl)-4-methyl-6-pyrimidin-5-yl-5,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 320.37 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-4-(2,4-difluorophenyl)-4-methyl-6-pyrimidin-5-yl-5,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 90253396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).