(6-methylpyrimidin-4-yl)-(trihydroxy-λ5-phosphanylidene)sulfanium

C5H8N2O3PS+ — CID 172819629

IUPAC(6-methylpyrimidin-4-yl)-(trihydroxy-λ5-phosphanylidene)sulfanium
SMILESCc1cc([S+]=P(O)(O)O)ncn1
InChIInChI=1S/C5H8N2O3PS/c1-4-2-5(7-3-6-4)12-11(8,9)10/h2-3,8-10H,1H3/q+1
InChIKeyHFCISXITIGYYNJ-UHFFFAOYSA-N
MW207.17 g/mol
LogP-0.12
Rot. Bonds1

About (6-methylpyrimidin-4-yl)-(trihydroxy-λ5-phosphanylidene)sulfanium

(6-methylpyrimidin-4-yl)-(trihydroxy-λ5-phosphanylidene)sulfanium (PubChem CID 172819629) has the molecular formula C5H8N2O3PS+ and a molecular weight of 207.17 g/mol. Its IUPAC name is (6-methylpyrimidin-4-yl)-(trihydroxy-λ5-phosphanylidene)sulfanium.

Molecular Properties

Compound Name(6-methylpyrimidin-4-yl)-(trihydroxy-λ5-phosphanylidene)sulfanium
PubChem CID172819629
Molecular FormulaC5H8N2O3PS+
Molecular Weight207.17 g/mol
Exact Mass207.00
IUPAC Name(6-methylpyrimidin-4-yl)-(trihydroxy-λ5-phosphanylidene)sulfanium
SMILESCc1cc([S+]=P(O)(O)O)ncn1
InChIInChI=1S/C5H8N2O3PS/c1-4-2-5(7-3-6-4)12-11(8,9)10/h2-3,8-10H,1H3/q+1
InChIKeyHFCISXITIGYYNJ-UHFFFAOYSA-N
XLogP-0.12
TPSA86.47 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.17
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 175435599
CID 175435599
4-methyl-6-(6-methylpyrimidin-4-yl)pyrimidine
CID 21259166
ethane;4-methoxy-6-methylpyrimidine;propane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173416669
6-methylpyrimidine-4-sulfinic acid
CID 146013613
4-(6-methylpyrimidin-4-yl)-4-oxobutanoic acid
CID 82401455
6-methylpyrimidine-4-carbonitrile
CID 12684335
(6-methylpyrimidin-4-yl) hydrogen carbonate
CID 67791604
2-[ethyl-(6-methylpyrimidin-4-yl)amino]ethanol
CID 61225312
1-methyl-2-(6-methylpyrimidin-4-yl)hydrazine
CID 119083381
4-(2-chloropropan-2-yl)-6-methylpyrimidine
CID 135170628
4-(1,1-difluoroethyl)-6-methylpyrimidine
CID 121391476
6-methyl-N-propylpyrimidine-4-carboxamide
CID 110847771

Frequently Asked Questions

What is the IUPAC name of (6-methylpyrimidin-4-yl)-(trihydroxy-λ5-phosphanylidene)sulfanium?
The IUPAC name of (6-methylpyrimidin-4-yl)-(trihydroxy-λ5-phosphanylidene)sulfanium (CID 172819629) is (6-methylpyrimidin-4-yl)-(trihydroxy-λ5-phosphanylidene)sulfanium.
What is the SMILES notation for (6-methylpyrimidin-4-yl)-(trihydroxy-λ5-phosphanylidene)sulfanium?
The canonical SMILES for (6-methylpyrimidin-4-yl)-(trihydroxy-λ5-phosphanylidene)sulfanium is Cc1cc([S+]=P(O)(O)O)ncn1.
What is the InChIKey of (6-methylpyrimidin-4-yl)-(trihydroxy-λ5-phosphanylidene)sulfanium?
The InChIKey is HFCISXITIGYYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3PS/c1-4-2-5(7-3-6-4)12-11(8,9)10/h2-3,8-10H,1H3/q+1.
What are the key properties of (6-methylpyrimidin-4-yl)-(trihydroxy-λ5-phosphanylidene)sulfanium?
(6-methylpyrimidin-4-yl)-(trihydroxy-λ5-phosphanylidene)sulfanium has a molecular weight of 207.17 g/mol, XLogP of -0.12, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylpyrimidin-4-yl)-(trihydroxy-λ5-phosphanylidene)sulfanium is sourced from PubChem (CID 172819629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).