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

C20H18N4S — CID 90253357

IUPAC(4S,6S)-6-phenyl-4-(3-pyrimidin-5-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESNC1=N[C@H](c2cccc(-c3cncnc3)c2)C[C@@H](c2ccccc2)S1
InChIInChI=1S/C20H18N4S/c21-20-24-18(10-19(25-20)14-5-2-1-3-6-14)16-8-4-7-15(9-16)17-11-22-13-23-12-17/h1-9,11-13,18-19H,10H2,(H2,21,24)/t18-,19-/m0/s1
InChIKeySLOKPDAKJNVJJW-OALUTQOASA-N
MW346.46 g/mol
LogP4.38
Rot. Bonds3

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

(4S,6S)-6-phenyl-4-(3-pyrimidin-5-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 90253357) has the molecular formula C20H18N4S and a molecular weight of 346.46 g/mol. Its IUPAC name is (4S,6S)-6-phenyl-4-(3-pyrimidin-5-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name(4S,6S)-6-phenyl-4-(3-pyrimidin-5-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID90253357
Molecular FormulaC20H18N4S
Molecular Weight346.46 g/mol
Exact Mass346.13
IUPAC Name(4S,6S)-6-phenyl-4-(3-pyrimidin-5-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESNC1=N[C@H](c2cccc(-c3cncnc3)c2)C[C@@H](c2ccccc2)S1
InChIInChI=1S/C20H18N4S/c21-20-24-18(10-19(25-20)14-5-2-1-3-6-14)16-8-4-7-15(9-16)17-11-22-13-23-12-17/h1-9,11-13,18-19H,10H2,(H2,21,24)/t18-,19-/m0/s1
InChIKeySLOKPDAKJNVJJW-OALUTQOASA-N
XLogP4.38
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4S,6S)-6-phenyl-4-(3-pyrimidin-5-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine with MolForge

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Related Compounds

Ly-2811376
CID 44251605
(4~{s},6~{s})-4-[2,4-Bis(Fluoranyl)phenyl]-4-Methyl-6-Pyrimidin-5-Yl-5,6-Dihydro-1,3-Thiazin-2-Amine
CID 90253396
4-[2-(4-Carbamimidoylphenyl)pyrimidin-5-yl]benzenecarboximidamide
CID 11849619
2,5-Diphenylpyrimidine
CID 755305
5-[5-(4-Methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]pyrimidine
CID 49781452
(4-Isopropyl-benzyl)-[3-(pyrimidin-2-ylsulfanyl)-propyl]-amine
CID 24747120
7-phenyl-5H-pyrimido[5,4-d][2]benzazepin-2-ylamine
CID 13143659
5-[(4-Phenylphenyl)methyl]pyrimidine-2,4-diamine
CID 14999849
2-Benzylsulfanyl-1-phenethyl-5-pyrimidin-5-ylmethyl-1H-pyrimidin-4-one
CID 18470253
1-Benzyl-2-benzylsulfanyl-5-pyrimidin-5-ylmethyl-1H-pyrimidin-4-one
CID 18470354
(2R)-2-benzyl-5-methyl-2-(3-pyrimidin-5-ylphenyl)imidazol-4-amine
CID 49869174
(4S)-4-methyl-4-(3-pyrimidin-5-ylphenyl)-5,6-dihydro-1,3-thiazin-2-amine
CID 68542320

Frequently Asked Questions

What is the IUPAC name of (4S,6S)-6-phenyl-4-(3-pyrimidin-5-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of (4S,6S)-6-phenyl-4-(3-pyrimidin-5-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 90253357) is (4S,6S)-6-phenyl-4-(3-pyrimidin-5-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for (4S,6S)-6-phenyl-4-(3-pyrimidin-5-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for (4S,6S)-6-phenyl-4-(3-pyrimidin-5-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is NC1=N[C@H](c2cccc(-c3cncnc3)c2)C[C@@H](c2ccccc2)S1.
What is the InChIKey of (4S,6S)-6-phenyl-4-(3-pyrimidin-5-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is SLOKPDAKJNVJJW-OALUTQOASA-N. The full InChI is InChI=1S/C20H18N4S/c21-20-24-18(10-19(25-20)14-5-2-1-3-6-14)16-8-4-7-15(9-16)17-11-22-13-23-12-17/h1-9,11-13,18-19H,10H2,(H2,21,24)/t18-,19-/m0/s1.
What are the key properties of (4S,6S)-6-phenyl-4-(3-pyrimidin-5-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
(4S,6S)-6-phenyl-4-(3-pyrimidin-5-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 346.46 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-6-phenyl-4-(3-pyrimidin-5-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 90253357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).