2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-phenothiazin-10-ylethanone

C19H16N4OS2 — CID 40663175

IUPAC2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-phenothiazin-10-ylethanone
SMILESCc1cc(N)nc(SCC(=O)N2c3ccccc3Sc3ccccc32)n1
InChIInChI=1S/C19H16N4OS2/c1-12-10-17(20)22-19(21-12)25-11-18(24)23-13-6-2-4-8-15(13)26-16-9-5-3-7-14(16)23/h2-10H,11H2,1H3,(H2,20,21,22)
InChIKeyVQWBOQBVGKOSDE-UHFFFAOYSA-N
MW380.50 g/mol
LogP4.29
Rot. Bonds3

About 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-phenothiazin-10-ylethanone

2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-phenothiazin-10-ylethanone (PubChem CID 40663175) has the molecular formula C19H16N4OS2 and a molecular weight of 380.50 g/mol. Its IUPAC name is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-phenothiazin-10-ylethanone.

Molecular Properties

Compound Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-phenothiazin-10-ylethanone
PubChem CID40663175
Molecular FormulaC19H16N4OS2
Molecular Weight380.50 g/mol
Exact Mass380.08
IUPAC Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-phenothiazin-10-ylethanone
SMILESCc1cc(N)nc(SCC(=O)N2c3ccccc3Sc3ccccc32)n1
InChIInChI=1S/C19H16N4OS2/c1-12-10-17(20)22-19(21-12)25-11-18(24)23-13-6-2-4-8-15(13)26-16-9-5-3-7-14(16)23/h2-10H,11H2,1H3,(H2,20,21,22)
InChIKeyVQWBOQBVGKOSDE-UHFFFAOYSA-N
XLogP4.29
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]sulfanyl-1-phenothiazin-10-ylethanone
CID 126391000
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone
CID 23887491
1-phenothiazin-10-yl-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]ethanone
CID 55737674
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(5-chlorothiophen-2-yl)ethanone
CID 38968189
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-phenothiazin-10-ylpropan-1-one
CID 23859692
2-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]-1-phenothiazin-10-ylethanone
CID 16765235
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(azocan-1-yl)ethanone
CID 51073353
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 17451432
1-(2-chlorophenothiazin-10-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 24600584
methyl 2-(4-amino-6-methylpyrimidin-2-yl)sulfanylacetate
CID 37192190
(3E)-1-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one
CID 97428990
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 40663166

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-phenothiazin-10-ylethanone?
The IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-phenothiazin-10-ylethanone (CID 40663175) is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-phenothiazin-10-ylethanone.
What is the SMILES notation for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-phenothiazin-10-ylethanone?
The canonical SMILES for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-phenothiazin-10-ylethanone is Cc1cc(N)nc(SCC(=O)N2c3ccccc3Sc3ccccc32)n1.
What is the InChIKey of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-phenothiazin-10-ylethanone?
The InChIKey is VQWBOQBVGKOSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS2/c1-12-10-17(20)22-19(21-12)25-11-18(24)23-13-6-2-4-8-15(13)26-16-9-5-3-7-14(16)23/h2-10H,11H2,1H3,(H2,20,21,22).
What are the key properties of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-phenothiazin-10-ylethanone?
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-phenothiazin-10-ylethanone has a molecular weight of 380.50 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-phenothiazin-10-ylethanone is sourced from PubChem (CID 40663175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).