4-(1-methylimidazol-2-yl)sulfanylpyrido[3,4-d]pyrimidine

C11H9N5S — CID 130257406

IUPAC4-(1-methylimidazol-2-yl)sulfanylpyrido[3,4-d]pyrimidine
SMILESCn1ccnc1Sc1ncnc2cnccc12
InChIInChI=1S/C11H9N5S/c1-16-5-4-13-11(16)17-10-8-2-3-12-6-9(8)14-7-15-10/h2-7H,1H3
InChIKeySXKYJFDUYJHWPJ-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.91
Rot. Bonds2

About 4-(1-methylimidazol-2-yl)sulfanylpyrido[3,4-d]pyrimidine

4-(1-methylimidazol-2-yl)sulfanylpyrido[3,4-d]pyrimidine (PubChem CID 130257406) has the molecular formula C11H9N5S and a molecular weight of 243.30 g/mol. Its IUPAC name is 4-(1-methylimidazol-2-yl)sulfanylpyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-(1-methylimidazol-2-yl)sulfanylpyrido[3,4-d]pyrimidine
PubChem CID130257406
Molecular FormulaC11H9N5S
Molecular Weight243.30 g/mol
Exact Mass243.06
IUPAC Name4-(1-methylimidazol-2-yl)sulfanylpyrido[3,4-d]pyrimidine
SMILESCn1ccnc1Sc1ncnc2cnccc12
InChIInChI=1S/C11H9N5S/c1-16-5-4-13-11(16)17-10-8-2-3-12-6-9(8)14-7-15-10/h2-7H,1H3
InChIKeySXKYJFDUYJHWPJ-UHFFFAOYSA-N
XLogP1.91
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylimidazol-2-yl)sulfanylpyrido[3,4-d]pyrimidine?
The IUPAC name of 4-(1-methylimidazol-2-yl)sulfanylpyrido[3,4-d]pyrimidine (CID 130257406) is 4-(1-methylimidazol-2-yl)sulfanylpyrido[3,4-d]pyrimidine.
What is the SMILES notation for 4-(1-methylimidazol-2-yl)sulfanylpyrido[3,4-d]pyrimidine?
The canonical SMILES for 4-(1-methylimidazol-2-yl)sulfanylpyrido[3,4-d]pyrimidine is Cn1ccnc1Sc1ncnc2cnccc12.
What is the InChIKey of 4-(1-methylimidazol-2-yl)sulfanylpyrido[3,4-d]pyrimidine?
The InChIKey is SXKYJFDUYJHWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5S/c1-16-5-4-13-11(16)17-10-8-2-3-12-6-9(8)14-7-15-10/h2-7H,1H3.
What are the key properties of 4-(1-methylimidazol-2-yl)sulfanylpyrido[3,4-d]pyrimidine?
4-(1-methylimidazol-2-yl)sulfanylpyrido[3,4-d]pyrimidine has a molecular weight of 243.30 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylimidazol-2-yl)sulfanylpyrido[3,4-d]pyrimidine is sourced from PubChem (CID 130257406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).