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

C15H16N4S — CID 67025352

IUPAC(6S)-6-methyl-6-(3-pyrimidin-5-ylphenyl)-4,5-dihydro-1,3-thiazin-2-amine
SMILESC[C@@]1(c2cccc(-c3cncnc3)c2)CCN=C(N)S1
InChIInChI=1S/C15H16N4S/c1-15(5-6-19-14(16)20-15)13-4-2-3-11(7-13)12-8-17-10-18-9-12/h2-4,7-10H,5-6H2,1H3,(H2,16,19)/t15-/m0/s1
InChIKeyIAWGNBRMAJQZHJ-HNNXBMFYSA-N
MW284.39 g/mol
LogP2.81
Rot. Bonds2

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

(6S)-6-methyl-6-(3-pyrimidin-5-ylphenyl)-4,5-dihydro-1,3-thiazin-2-amine (PubChem CID 67025352) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is (6S)-6-methyl-6-(3-pyrimidin-5-ylphenyl)-4,5-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name(6S)-6-methyl-6-(3-pyrimidin-5-ylphenyl)-4,5-dihydro-1,3-thiazin-2-amine
PubChem CID67025352
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name(6S)-6-methyl-6-(3-pyrimidin-5-ylphenyl)-4,5-dihydro-1,3-thiazin-2-amine
SMILESC[C@@]1(c2cccc(-c3cncnc3)c2)CCN=C(N)S1
InChIInChI=1S/C15H16N4S/c1-15(5-6-19-14(16)20-15)13-4-2-3-11(7-13)12-8-17-10-18-9-12/h2-4,7-10H,5-6H2,1H3,(H2,16,19)/t15-/m0/s1
InChIKeyIAWGNBRMAJQZHJ-HNNXBMFYSA-N
XLogP2.81
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,2,4-oxadiazin-3-amine
CID 70326750
5-(3-pyrimidin-5-ylphenyl)pyrimidine
CID 101127667
ethane;(3S)-3-methyl-5-methylidene-3-(3-pyrimidin-5-ylphenyl)cyclohexan-1-one;molecular hydrogen
CID 145460185
3-pyrimidin-5-ylaniline
CID 7162049
(6S)-6-(5-bromo-2-fluorophenyl)-6-methyl-4,5-dihydro-1,3-thiazin-2-amine
CID 67025525
2-amino-5-(5-chloro-2-methylthiophen-3-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
CID 68699312
7a-(3-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-amine
CID 66860868
2-amino-4-phenyl-4-(3-pyrimidin-5-ylphenyl)-1H-imidazol-5-one
CID 143064638
(3aS,7aR)-7a-(3-pyrimidin-5-ylphenyl)-3a,4,6,7-tetrahydropyrano[4,3-d][1,3]oxazol-2-amine
CID 72712537
(4S)-4-(2-fluoro-5-pyrimidin-5-ylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine;dihydrochloride
CID 118305812
3-(2-propan-2-yl-4-pyridinyl)-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine
CID 24874780
4-[6-amino-8-(3-pyrimidin-5-ylphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenol
CID 71032880

Frequently Asked Questions

What is the IUPAC name of (6S)-6-methyl-6-(3-pyrimidin-5-ylphenyl)-4,5-dihydro-1,3-thiazin-2-amine?
The IUPAC name of (6S)-6-methyl-6-(3-pyrimidin-5-ylphenyl)-4,5-dihydro-1,3-thiazin-2-amine (CID 67025352) is (6S)-6-methyl-6-(3-pyrimidin-5-ylphenyl)-4,5-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for (6S)-6-methyl-6-(3-pyrimidin-5-ylphenyl)-4,5-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for (6S)-6-methyl-6-(3-pyrimidin-5-ylphenyl)-4,5-dihydro-1,3-thiazin-2-amine is C[C@@]1(c2cccc(-c3cncnc3)c2)CCN=C(N)S1.
What is the InChIKey of (6S)-6-methyl-6-(3-pyrimidin-5-ylphenyl)-4,5-dihydro-1,3-thiazin-2-amine?
The InChIKey is IAWGNBRMAJQZHJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-15(5-6-19-14(16)20-15)13-4-2-3-11(7-13)12-8-17-10-18-9-12/h2-4,7-10H,5-6H2,1H3,(H2,16,19)/t15-/m0/s1.
What are the key properties of (6S)-6-methyl-6-(3-pyrimidin-5-ylphenyl)-4,5-dihydro-1,3-thiazin-2-amine?
(6S)-6-methyl-6-(3-pyrimidin-5-ylphenyl)-4,5-dihydro-1,3-thiazin-2-amine has a molecular weight of 284.39 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-methyl-6-(3-pyrimidin-5-ylphenyl)-4,5-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 67025352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).