6-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C14H19N5S — CID 24910187

IUPAC6-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCSc1ncc2c(n1)CCN(Cc1cn(C)nc1C)C2
InChIInChI=1S/C14H19N5S/c1-10-12(7-18(2)17-10)9-19-5-4-13-11(8-19)6-15-14(16-13)20-3/h6-7H,4-5,8-9H2,1-3H3
InChIKeyRZAVCEAVYSVCSY-UHFFFAOYSA-N
MW289.41 g/mol
LogP1.80
Rot. Bonds3

About 6-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24910187) has the molecular formula C14H19N5S and a molecular weight of 289.41 g/mol. Its IUPAC name is 6-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24910187
Molecular FormulaC14H19N5S
Molecular Weight289.41 g/mol
Exact Mass289.14
IUPAC Name6-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCSc1ncc2c(n1)CCN(Cc1cn(C)nc1C)C2
InChIInChI=1S/C14H19N5S/c1-10-12(7-18(2)17-10)9-19-5-4-13-11(8-19)6-15-14(16-13)20-3/h6-7H,4-5,8-9H2,1-3H3
InChIKeyRZAVCEAVYSVCSY-UHFFFAOYSA-N
XLogP1.80
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24910187) is 6-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CSc1ncc2c(n1)CCN(Cc1cn(C)nc1C)C2.
What is the InChIKey of 6-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is RZAVCEAVYSVCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5S/c1-10-12(7-18(2)17-10)9-19-5-4-13-11(8-19)6-15-14(16-13)20-3/h6-7H,4-5,8-9H2,1-3H3.
What are the key properties of 6-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 289.41 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24910187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).