6-(3,4-dihydro-2H-pyran-5-ylmethyl)-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C17H19N3OS — CID 24909682

IUPAC6-(3,4-dihydro-2H-pyran-5-ylmethyl)-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESC1=C(CN2CCc3nc(-c4cccs4)ncc3C2)CCCO1
InChIInChI=1S/C17H19N3OS/c1-3-13(12-21-7-1)10-20-6-5-15-14(11-20)9-18-17(19-15)16-4-2-8-22-16/h2,4,8-9,12H,1,3,5-7,10-11H2
InChIKeyQLNKQZDRIMKNOA-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.26
Rot. Bonds3

About 6-(3,4-dihydro-2H-pyran-5-ylmethyl)-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-(3,4-dihydro-2H-pyran-5-ylmethyl)-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24909682) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 6-(3,4-dihydro-2H-pyran-5-ylmethyl)-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-(3,4-dihydro-2H-pyran-5-ylmethyl)-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24909682
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name6-(3,4-dihydro-2H-pyran-5-ylmethyl)-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESC1=C(CN2CCc3nc(-c4cccs4)ncc3C2)CCCO1
InChIInChI=1S/C17H19N3OS/c1-3-13(12-21-7-1)10-20-6-5-15-14(11-20)9-18-17(19-15)16-4-2-8-22-16/h2,4,8-9,12H,1,3,5-7,10-11H2
InChIKeyQLNKQZDRIMKNOA-UHFFFAOYSA-N
XLogP3.26
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-2H-pyran-5-ylmethyl)-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-(3,4-dihydro-2H-pyran-5-ylmethyl)-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24909682) is 6-(3,4-dihydro-2H-pyran-5-ylmethyl)-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-(3,4-dihydro-2H-pyran-5-ylmethyl)-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-(3,4-dihydro-2H-pyran-5-ylmethyl)-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is C1=C(CN2CCc3nc(-c4cccs4)ncc3C2)CCCO1.
What is the InChIKey of 6-(3,4-dihydro-2H-pyran-5-ylmethyl)-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is QLNKQZDRIMKNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-3-13(12-21-7-1)10-20-6-5-15-14(11-20)9-18-17(19-15)16-4-2-8-22-16/h2,4,8-9,12H,1,3,5-7,10-11H2.
What are the key properties of 6-(3,4-dihydro-2H-pyran-5-ylmethyl)-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-(3,4-dihydro-2H-pyran-5-ylmethyl)-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 313.43 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-2H-pyran-5-ylmethyl)-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24909682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).