(4R)-4-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine

C15H14F2N4S — CID 98008511

IUPAC(4R)-4-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
SMILESC[C@]1(c2cc(-c3cncnc3)c(F)cc2F)CCSC(N)=N1
InChIInChI=1S/C15H14F2N4S/c1-15(2-3-22-14(18)21-15)11-4-10(12(16)5-13(11)17)9-6-19-8-20-7-9/h4-8H,2-3H2,1H3,(H2,18,21)/t15-/m1/s1
InChIKeyMJQMRGWYPNIERM-OAHLLOKOSA-N
MW320.37 g/mol
LogP3.09
Rot. Bonds2

About (4R)-4-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine

(4R)-4-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine (PubChem CID 98008511) has the molecular formula C15H14F2N4S and a molecular weight of 320.37 g/mol. Its IUPAC name is (4R)-4-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name(4R)-4-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
PubChem CID98008511
Molecular FormulaC15H14F2N4S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC Name(4R)-4-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
SMILESC[C@]1(c2cc(-c3cncnc3)c(F)cc2F)CCSC(N)=N1
InChIInChI=1S/C15H14F2N4S/c1-15(2-3-22-14(18)21-15)11-4-10(12(16)5-13(11)17)9-6-19-8-20-7-9/h4-8H,2-3H2,1H3,(H2,18,21)/t15-/m1/s1
InChIKeyMJQMRGWYPNIERM-OAHLLOKOSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-4-(2-fluoro-5-pyrimidin-5-ylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine;dihydrochloride
CID 118305812
(4S)-4-(4-fluoro-3-pyrimidin-5-ylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine;dihydrochloride
CID 118305820
(4aR,8aS)-8a-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-4,4a,5,6,7,8-hexahydro-3,1-benzothiazin-2-amine
CID 50903050
7a-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-amine
CID 66861535
(4aS,7aS)-7a-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-amine
CID 58102213
(4aR,8aR)-8a-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-4a,5,6,7-tetrahydro-4H-pyrano[2,3-d][1,3]thiazin-2-amine
CID 71079691
(4S)-4-[2-fluoro-5-(2-fluoro-3-pyridinyl)phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 58376896
5-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-N-methylpyridine-2-carboxamide
CID 58377049
(4S,6S)-4-[2,4-difluoro-5-(2-fluoropyrimidin-5-yl)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 90242363
tert-butyl N-[(6S)-6-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-6-methyl-4,5-dihydro-1,3-thiazin-2-yl]carbamate
CID 67025375
2-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-fluoro-2-pyridinyl)ethanone
CID 158152074
tert-butyl N-[4-(4-fluoro-3-pyrimidin-5-ylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-yl]carbamate
CID 118305831

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of (4R)-4-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine (CID 98008511) is (4R)-4-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for (4R)-4-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for (4R)-4-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine is C[C@]1(c2cc(-c3cncnc3)c(F)cc2F)CCSC(N)=N1.
What is the InChIKey of (4R)-4-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is MJQMRGWYPNIERM-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H14F2N4S/c1-15(2-3-22-14(18)21-15)11-4-10(12(16)5-13(11)17)9-6-19-8-20-7-9/h4-8H,2-3H2,1H3,(H2,18,21)/t15-/m1/s1.
What are the key properties of (4R)-4-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
(4R)-4-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 320.37 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 98008511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).