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

C14H19N5S — CID 24912035

IUPAC6-[(1-ethylpyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCn1cc(CN2CCc3nc(SC)ncc3C2)cn1
InChIInChI=1S/C14H19N5S/c1-3-19-9-11(6-16-19)8-18-5-4-13-12(10-18)7-15-14(17-13)20-2/h6-7,9H,3-5,8,10H2,1-2H3
InChIKeyAPUOACOBQDDFKZ-UHFFFAOYSA-N
MW289.41 g/mol
LogP1.97
Rot. Bonds4

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

6-[(1-ethylpyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24912035) has the molecular formula C14H19N5S and a molecular weight of 289.41 g/mol. Its IUPAC name is 6-[(1-ethylpyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(1-ethylpyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24912035
Molecular FormulaC14H19N5S
Molecular Weight289.41 g/mol
Exact Mass289.14
IUPAC Name6-[(1-ethylpyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCn1cc(CN2CCc3nc(SC)ncc3C2)cn1
InChIInChI=1S/C14H19N5S/c1-3-19-9-11(6-16-19)8-18-5-4-13-12(10-18)7-15-14(17-13)20-2/h6-7,9H,3-5,8,10H2,1-2H3
InChIKeyAPUOACOBQDDFKZ-UHFFFAOYSA-N
XLogP1.97
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-ethylpyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(1-ethylpyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24912035) is 6-[(1-ethylpyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(1-ethylpyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(1-ethylpyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CCn1cc(CN2CCc3nc(SC)ncc3C2)cn1.
What is the InChIKey of 6-[(1-ethylpyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is APUOACOBQDDFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5S/c1-3-19-9-11(6-16-19)8-18-5-4-13-12(10-18)7-15-14(17-13)20-2/h6-7,9H,3-5,8,10H2,1-2H3.
What are the key properties of 6-[(1-ethylpyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(1-ethylpyrazol-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 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-ethylpyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24912035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).