6-amino-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1-phenylpyrimidin-4-one

C24H18N4O2S2 — CID 1164726

IUPAC6-amino-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1-phenylpyrimidin-4-one
SMILESNc1cc(=O)nc(SCC(=O)N2c3ccccc3Sc3ccccc32)n1-c1ccccc1
InChIInChI=1S/C24H18N4O2S2/c25-21-14-22(29)26-24(27(21)16-8-2-1-3-9-16)31-15-23(30)28-17-10-4-6-12-19(17)32-20-13-7-5-11-18(20)28/h1-14H,15,25H2
InChIKeyVYPFVJRUHHPXRL-UHFFFAOYSA-N
MW458.57 g/mol
LogP4.74
Rot. Bonds4

About 6-amino-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1-phenylpyrimidin-4-one

6-amino-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1-phenylpyrimidin-4-one (PubChem CID 1164726) has the molecular formula C24H18N4O2S2 and a molecular weight of 458.57 g/mol. Its IUPAC name is 6-amino-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1-phenylpyrimidin-4-one.

Molecular Properties

Compound Name6-amino-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1-phenylpyrimidin-4-one
PubChem CID1164726
Molecular FormulaC24H18N4O2S2
Molecular Weight458.57 g/mol
Exact Mass458.09
IUPAC Name6-amino-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1-phenylpyrimidin-4-one
SMILESNc1cc(=O)nc(SCC(=O)N2c3ccccc3Sc3ccccc32)n1-c1ccccc1
InChIInChI=1S/C24H18N4O2S2/c25-21-14-22(29)26-24(27(21)16-8-2-1-3-9-16)31-15-23(30)28-17-10-4-6-12-19(17)32-20-13-7-5-11-18(20)28/h1-14H,15,25H2
InChIKeyVYPFVJRUHHPXRL-UHFFFAOYSA-N
XLogP4.74
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-oxo-1,3-thiazol-2-yl)phenothiazine-10-carboxamide
CID 135449225
4-Hydroxy-2-(2-oxo-2-phenothiazin-10-yl-ethylsulfanyl)-6-phenyl-pyrimidine-5-carbonitrile
CID 135520808
N-(4-oxo-1,3-thiazolidin-2-ylidene)phenothiazine-10-carboxamide
CID 135399084
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
CID 135519923
2-[(4,6-dihydroxypyrimidin-2-yl)sulfanyl]-1-(10H-phenothiazin-10-yl)ethanone
CID 1129344
N-(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)-10H-phenothiazine-10-carboxamide
CID 135456876
3-Phenothiazin-10-yl-1-(2-phenylimino-1,3-thiazinan-3-yl)propan-1-one
CID 2485026
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenothiazin-10-ylpropanamide
CID 2425682
6-Ethyl-2-{[1-(phenothiazine-10-carbonyl)piperidin-4-YL]amino}-3H-pyrimidin-4-one
CID 135418106
2-[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]-1-(10H-phenothiazin-10-yl)ethanone
CID 135407989
6-amino-2-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4(3H)-pyrimidinone
CID 135502719
6-methyl-2-{[1-(phenothiazine-10-carbonyl)piperidin-4-yl]amino}-3H-pyrimidin-4-one
CID 136881905

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1-phenylpyrimidin-4-one?
The IUPAC name of 6-amino-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1-phenylpyrimidin-4-one (CID 1164726) is 6-amino-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1-phenylpyrimidin-4-one.
What is the SMILES notation for 6-amino-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1-phenylpyrimidin-4-one?
The canonical SMILES for 6-amino-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1-phenylpyrimidin-4-one is Nc1cc(=O)nc(SCC(=O)N2c3ccccc3Sc3ccccc32)n1-c1ccccc1.
What is the InChIKey of 6-amino-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1-phenylpyrimidin-4-one?
The InChIKey is VYPFVJRUHHPXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2S2/c25-21-14-22(29)26-24(27(21)16-8-2-1-3-9-16)31-15-23(30)28-17-10-4-6-12-19(17)32-20-13-7-5-11-18(20)28/h1-14H,15,25H2.
What are the key properties of 6-amino-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1-phenylpyrimidin-4-one?
6-amino-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1-phenylpyrimidin-4-one has a molecular weight of 458.57 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1-phenylpyrimidin-4-one is sourced from PubChem (CID 1164726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).