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

C15H21N5S — CID 24912014

IUPAC6-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCn1cc(CN2CCc3nc(SC)ncc3C2)c(C)n1
InChIInChI=1S/C15H21N5S/c1-4-20-10-13(11(2)18-20)9-19-6-5-14-12(8-19)7-16-15(17-14)21-3/h7,10H,4-6,8-9H2,1-3H3
InChIKeyKRVAEKLVZMCMMM-UHFFFAOYSA-N
MW303.44 g/mol
LogP2.28
Rot. Bonds4

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

6-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24912014) has the molecular formula C15H21N5S and a molecular weight of 303.44 g/mol. Its IUPAC name is 6-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24912014
Molecular FormulaC15H21N5S
Molecular Weight303.44 g/mol
Exact Mass303.15
IUPAC Name6-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCn1cc(CN2CCc3nc(SC)ncc3C2)c(C)n1
InChIInChI=1S/C15H21N5S/c1-4-20-10-13(11(2)18-20)9-19-6-5-14-12(8-19)7-16-15(17-14)21-3/h7,10H,4-6,8-9H2,1-3H3
InChIKeyKRVAEKLVZMCMMM-UHFFFAOYSA-N
XLogP2.28
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24912014) is 6-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CCn1cc(CN2CCc3nc(SC)ncc3C2)c(C)n1.
What is the InChIKey of 6-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is KRVAEKLVZMCMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5S/c1-4-20-10-13(11(2)18-20)9-19-6-5-14-12(8-19)7-16-15(17-14)21-3/h7,10H,4-6,8-9H2,1-3H3.
What are the key properties of 6-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 303.44 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24912014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).