6-(1-methylimidazol-4-yl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C11H13N5O2S — CID 72719551

IUPAC6-(1-methylimidazol-4-yl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCn1cnc(S(=O)(=O)N2CCc3ncncc3C2)c1
InChIInChI=1S/C11H13N5O2S/c1-15-6-11(14-8-15)19(17,18)16-3-2-10-9(5-16)4-12-7-13-10/h4,6-8H,2-3,5H2,1H3
InChIKeyDCVXPBMMPBVHRH-UHFFFAOYSA-N
MW279.32 g/mol
LogP-0.04
Rot. Bonds2

About 6-(1-methylimidazol-4-yl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-(1-methylimidazol-4-yl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 72719551) has the molecular formula C11H13N5O2S and a molecular weight of 279.32 g/mol. Its IUPAC name is 6-(1-methylimidazol-4-yl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-(1-methylimidazol-4-yl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID72719551
Molecular FormulaC11H13N5O2S
Molecular Weight279.32 g/mol
Exact Mass279.08
IUPAC Name6-(1-methylimidazol-4-yl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCn1cnc(S(=O)(=O)N2CCc3ncncc3C2)c1
InChIInChI=1S/C11H13N5O2S/c1-15-6-11(14-8-15)19(17,18)16-3-2-10-9(5-16)4-12-7-13-10/h4,6-8H,2-3,5H2,1H3
InChIKeyDCVXPBMMPBVHRH-UHFFFAOYSA-N
XLogP-0.04
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylimidazol-4-yl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-(1-methylimidazol-4-yl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 72719551) is 6-(1-methylimidazol-4-yl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-(1-methylimidazol-4-yl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-(1-methylimidazol-4-yl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cn1cnc(S(=O)(=O)N2CCc3ncncc3C2)c1.
What is the InChIKey of 6-(1-methylimidazol-4-yl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is DCVXPBMMPBVHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S/c1-15-6-11(14-8-15)19(17,18)16-3-2-10-9(5-16)4-12-7-13-10/h4,6-8H,2-3,5H2,1H3.
What are the key properties of 6-(1-methylimidazol-4-yl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-(1-methylimidazol-4-yl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 279.32 g/mol, XLogP of -0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylimidazol-4-yl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 72719551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).