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

C18H19N3OS — CID 24909703

IUPAC6-[(4,5-dimethylfuran-2-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1cc(CN2CCc3nc(-c4cccs4)ncc3C2)oc1C
InChIInChI=1S/C18H19N3OS/c1-12-8-15(22-13(12)2)11-21-6-5-16-14(10-21)9-19-18(20-16)17-4-3-7-23-17/h3-4,7-9H,5-6,10-11H2,1-2H3
InChIKeyRSVODMSXPCQVKQ-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.97
Rot. Bonds3

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

6-[(4,5-dimethylfuran-2-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24909703) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 6-[(4,5-dimethylfuran-2-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(4,5-dimethylfuran-2-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24909703
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name6-[(4,5-dimethylfuran-2-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1cc(CN2CCc3nc(-c4cccs4)ncc3C2)oc1C
InChIInChI=1S/C18H19N3OS/c1-12-8-15(22-13(12)2)11-21-6-5-16-14(10-21)9-19-18(20-16)17-4-3-7-23-17/h3-4,7-9H,5-6,10-11H2,1-2H3
InChIKeyRSVODMSXPCQVKQ-UHFFFAOYSA-N
XLogP3.97
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(4,5-dimethylfuran-2-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(4,5-dimethylfuran-2-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24909703) is 6-[(4,5-dimethylfuran-2-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(4,5-dimethylfuran-2-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(4,5-dimethylfuran-2-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1cc(CN2CCc3nc(-c4cccs4)ncc3C2)oc1C.
What is the InChIKey of 6-[(4,5-dimethylfuran-2-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is RSVODMSXPCQVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-12-8-15(22-13(12)2)11-21-6-5-16-14(10-21)9-19-18(20-16)17-4-3-7-23-17/h3-4,7-9H,5-6,10-11H2,1-2H3.
What are the key properties of 6-[(4,5-dimethylfuran-2-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(4,5-dimethylfuran-2-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 325.44 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,5-dimethylfuran-2-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24909703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).