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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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).