6-hydroxy-5-[(4-hydroxy-1,3-dimethyl-6-oxo-2-sulfanylidenepyrimidin-5-yl)-pyridin-3-ylmethyl]-1,3-dimethyl-2-sulfanylidenepyrimidin-4-one

C18H19N5O4S2 — CID 126106382

IUPAC6-hydroxy-5-[(4-hydroxy-1,3-dimethyl-6-oxo-2-sulfanylidenepyrimidin-5-yl)-pyridin-3-ylmethyl]-1,3-dimethyl-2-sulfanylidenepyrimidin-4-one
SMILESCn1c(O)c(C(c2cccnc2)c2c(O)n(C)c(=S)n(C)c2=O)c(=O)n(C)c1=S
InChIInChI=1S/C18H19N5O4S2/c1-20-13(24)11(14(25)21(2)17(20)28)10(9-6-5-7-19-8-9)12-15(26)22(3)18(29)23(4)16(12)27/h5-8,10,24,26H,1-4H3
InChIKeyPJVIUCPGNHQEBZ-UHFFFAOYSA-N
MW433.52 g/mol
LogP1.21
Rot. Bonds3

About 6-hydroxy-5-[(4-hydroxy-1,3-dimethyl-6-oxo-2-sulfanylidenepyrimidin-5-yl)-pyridin-3-ylmethyl]-1,3-dimethyl-2-sulfanylidenepyrimidin-4-one

6-hydroxy-5-[(4-hydroxy-1,3-dimethyl-6-oxo-2-sulfanylidenepyrimidin-5-yl)-pyridin-3-ylmethyl]-1,3-dimethyl-2-sulfanylidenepyrimidin-4-one (PubChem CID 126106382) has the molecular formula C18H19N5O4S2 and a molecular weight of 433.52 g/mol. Its IUPAC name is 6-hydroxy-5-[(4-hydroxy-1,3-dimethyl-6-oxo-2-sulfanylidenepyrimidin-5-yl)-pyridin-3-ylmethyl]-1,3-dimethyl-2-sulfanylidenepyrimidin-4-one.

Molecular Properties

Compound Name6-hydroxy-5-[(4-hydroxy-1,3-dimethyl-6-oxo-2-sulfanylidenepyrimidin-5-yl)-pyridin-3-ylmethyl]-1,3-dimethyl-2-sulfanylidenepyrimidin-4-one
PubChem CID126106382
Molecular FormulaC18H19N5O4S2
Molecular Weight433.52 g/mol
Exact Mass433.09
IUPAC Name6-hydroxy-5-[(4-hydroxy-1,3-dimethyl-6-oxo-2-sulfanylidenepyrimidin-5-yl)-pyridin-3-ylmethyl]-1,3-dimethyl-2-sulfanylidenepyrimidin-4-one
SMILESCn1c(O)c(C(c2cccnc2)c2c(O)n(C)c(=S)n(C)c2=O)c(=O)n(C)c1=S
InChIInChI=1S/C18H19N5O4S2/c1-20-13(24)11(14(25)21(2)17(20)28)10(9-6-5-7-19-8-9)12-15(26)22(3)18(29)23(4)16(12)27/h5-8,10,24,26H,1-4H3
InChIKeyPJVIUCPGNHQEBZ-UHFFFAOYSA-N
XLogP1.21
TPSA107.21 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.52
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 6-hydroxy-5-[(4-hydroxy-1,3-dimethyl-6-oxo-2-sulfanylidenepyrimidin-5-yl)-pyridin-3-ylmethyl]-1,3-dimethyl-2-sulfanylidenepyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

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CID 163201135
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CID 4267493
2-[hydroxy(pyridin-3-yl)methyl]-1-methylquinolin-4-one
CID 15733015
1,6-dimethyl-2-oxo-N-[(1R)-1-pyridin-3-ylethyl]pyridine-3-carboxamide
CID 125437332
5-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-pyridin-3-ylmethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 11143862
1-hydroxy-1-pyridin-3-ylpropan-2-one
CID 12549519
(2R)-3-pyridin-3-ylbutan-2-ol
CID 57231816
(4S)-4-amino-4-pyridin-3-ylbutan-2-one
CID 59038480
2-pyridin-3-ylpropanehydrazide
CID 116843938
(Z)-1-pyridin-3-ylbut-2-en-1-ol
CID 45079933
4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperazin-1-yl)-pyridin-3-ylmethyl]pyridin-2-one
CID 54692672
3-amino-3-pyridin-3-ylpropanamide;methanamine
CID 144589077

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[(4-hydroxy-1,3-dimethyl-6-oxo-2-sulfanylidenepyrimidin-5-yl)-pyridin-3-ylmethyl]-1,3-dimethyl-2-sulfanylidenepyrimidin-4-one?
The IUPAC name of 6-hydroxy-5-[(4-hydroxy-1,3-dimethyl-6-oxo-2-sulfanylidenepyrimidin-5-yl)-pyridin-3-ylmethyl]-1,3-dimethyl-2-sulfanylidenepyrimidin-4-one (CID 126106382) is 6-hydroxy-5-[(4-hydroxy-1,3-dimethyl-6-oxo-2-sulfanylidenepyrimidin-5-yl)-pyridin-3-ylmethyl]-1,3-dimethyl-2-sulfanylidenepyrimidin-4-one.
What is the SMILES notation for 6-hydroxy-5-[(4-hydroxy-1,3-dimethyl-6-oxo-2-sulfanylidenepyrimidin-5-yl)-pyridin-3-ylmethyl]-1,3-dimethyl-2-sulfanylidenepyrimidin-4-one?
The canonical SMILES for 6-hydroxy-5-[(4-hydroxy-1,3-dimethyl-6-oxo-2-sulfanylidenepyrimidin-5-yl)-pyridin-3-ylmethyl]-1,3-dimethyl-2-sulfanylidenepyrimidin-4-one is Cn1c(O)c(C(c2cccnc2)c2c(O)n(C)c(=S)n(C)c2=O)c(=O)n(C)c1=S.
What is the InChIKey of 6-hydroxy-5-[(4-hydroxy-1,3-dimethyl-6-oxo-2-sulfanylidenepyrimidin-5-yl)-pyridin-3-ylmethyl]-1,3-dimethyl-2-sulfanylidenepyrimidin-4-one?
The InChIKey is PJVIUCPGNHQEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4S2/c1-20-13(24)11(14(25)21(2)17(20)28)10(9-6-5-7-19-8-9)12-15(26)22(3)18(29)23(4)16(12)27/h5-8,10,24,26H,1-4H3.
What are the key properties of 6-hydroxy-5-[(4-hydroxy-1,3-dimethyl-6-oxo-2-sulfanylidenepyrimidin-5-yl)-pyridin-3-ylmethyl]-1,3-dimethyl-2-sulfanylidenepyrimidin-4-one?
6-hydroxy-5-[(4-hydroxy-1,3-dimethyl-6-oxo-2-sulfanylidenepyrimidin-5-yl)-pyridin-3-ylmethyl]-1,3-dimethyl-2-sulfanylidenepyrimidin-4-one has a molecular weight of 433.52 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(4-hydroxy-1,3-dimethyl-6-oxo-2-sulfanylidenepyrimidin-5-yl)-pyridin-3-ylmethyl]-1,3-dimethyl-2-sulfanylidenepyrimidin-4-one is sourced from PubChem (CID 126106382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).