8-bromo-2-methylsulfanyl-6,7-dihydropyrido[3,2-d]pyrimidine

C8H8BrN3S — CID 166983731

IUPAC8-bromo-2-methylsulfanyl-6,7-dihydropyrido[3,2-d]pyrimidine
SMILESCSc1ncc2c(n1)=C(Br)CCN=2
InChIInChI=1S/C8H8BrN3S/c1-13-8-11-4-6-7(12-8)5(9)2-3-10-6/h4H,2-3H2,1H3
InChIKeyUMZXNPGPOURYLQ-UHFFFAOYSA-N
MW258.14 g/mol
LogP0.72
Rot. Bonds1

About 8-bromo-2-methylsulfanyl-6,7-dihydropyrido[3,2-d]pyrimidine

8-bromo-2-methylsulfanyl-6,7-dihydropyrido[3,2-d]pyrimidine (PubChem CID 166983731) has the molecular formula C8H8BrN3S and a molecular weight of 258.14 g/mol. Its IUPAC name is 8-bromo-2-methylsulfanyl-6,7-dihydropyrido[3,2-d]pyrimidine.

Molecular Properties

Compound Name8-bromo-2-methylsulfanyl-6,7-dihydropyrido[3,2-d]pyrimidine
PubChem CID166983731
Molecular FormulaC8H8BrN3S
Molecular Weight258.14 g/mol
Exact Mass256.96
IUPAC Name8-bromo-2-methylsulfanyl-6,7-dihydropyrido[3,2-d]pyrimidine
SMILESCSc1ncc2c(n1)=C(Br)CCN=2
InChIInChI=1S/C8H8BrN3S/c1-13-8-11-4-6-7(12-8)5(9)2-3-10-6/h4H,2-3H2,1H3
InChIKeyUMZXNPGPOURYLQ-UHFFFAOYSA-N
XLogP0.72
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.14
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-methylsulfanyl-6,7-dihydropyrido[3,2-d]pyrimidine?
The IUPAC name of 8-bromo-2-methylsulfanyl-6,7-dihydropyrido[3,2-d]pyrimidine (CID 166983731) is 8-bromo-2-methylsulfanyl-6,7-dihydropyrido[3,2-d]pyrimidine.
What is the SMILES notation for 8-bromo-2-methylsulfanyl-6,7-dihydropyrido[3,2-d]pyrimidine?
The canonical SMILES for 8-bromo-2-methylsulfanyl-6,7-dihydropyrido[3,2-d]pyrimidine is CSc1ncc2c(n1)=C(Br)CCN=2.
What is the InChIKey of 8-bromo-2-methylsulfanyl-6,7-dihydropyrido[3,2-d]pyrimidine?
The InChIKey is UMZXNPGPOURYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3S/c1-13-8-11-4-6-7(12-8)5(9)2-3-10-6/h4H,2-3H2,1H3.
What are the key properties of 8-bromo-2-methylsulfanyl-6,7-dihydropyrido[3,2-d]pyrimidine?
8-bromo-2-methylsulfanyl-6,7-dihydropyrido[3,2-d]pyrimidine has a molecular weight of 258.14 g/mol, XLogP of 0.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-methylsulfanyl-6,7-dihydropyrido[3,2-d]pyrimidine is sourced from PubChem (CID 166983731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).