7-(1-benzothiophen-2-ylmethyl)-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

C19H21N3S — CID 24931317

IUPAC7-(1-benzothiophen-2-ylmethyl)-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCCCc1ncc2c(n1)CN(Cc1cc3ccccc3s1)CC2
InChIInChI=1S/C19H21N3S/c1-2-5-19-20-11-15-8-9-22(13-17(15)21-19)12-16-10-14-6-3-4-7-18(14)23-16/h3-4,6-7,10-11H,2,5,8-9,12-13H2,1H3
InChIKeyDXHWSSDQDXLURL-UHFFFAOYSA-N
MW323.47 g/mol
LogP4.20
Rot. Bonds4

About 7-(1-benzothiophen-2-ylmethyl)-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

7-(1-benzothiophen-2-ylmethyl)-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 24931317) has the molecular formula C19H21N3S and a molecular weight of 323.47 g/mol. Its IUPAC name is 7-(1-benzothiophen-2-ylmethyl)-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name7-(1-benzothiophen-2-ylmethyl)-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID24931317
Molecular FormulaC19H21N3S
Molecular Weight323.47 g/mol
Exact Mass323.15
IUPAC Name7-(1-benzothiophen-2-ylmethyl)-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCCCc1ncc2c(n1)CN(Cc1cc3ccccc3s1)CC2
InChIInChI=1S/C19H21N3S/c1-2-5-19-20-11-15-8-9-22(13-17(15)21-19)12-16-10-14-6-3-4-7-18(14)23-16/h3-4,6-7,10-11H,2,5,8-9,12-13H2,1H3
InChIKeyDXHWSSDQDXLURL-UHFFFAOYSA-N
XLogP4.20
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenyl-3-[(2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,2-oxazole
CID 24931128
4-methyl-5-[(2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-thiazole
CID 24930897
6-[[5-(2-methylphenyl)thiophen-2-yl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915594
1-[5-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thiophen-2-yl]ethanone
CID 24910974
6-[(2,6-dimethylphenyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928995
5-(furan-2-yl)-3-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole
CID 24917420
2-(4-methoxyphenyl)-5-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole
CID 24915111
5-methyl-3-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole
CID 24916056
6-[(3,4-dichlorophenyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929961
2-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole
CID 24910029
6-[(6-fluoro-5-methyl-3-pyridinyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915825
2-propyl-6-[(2,3,6-trifluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928197

Frequently Asked Questions

What is the IUPAC name of 7-(1-benzothiophen-2-ylmethyl)-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 7-(1-benzothiophen-2-ylmethyl)-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 24931317) is 7-(1-benzothiophen-2-ylmethyl)-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 7-(1-benzothiophen-2-ylmethyl)-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 7-(1-benzothiophen-2-ylmethyl)-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is CCCc1ncc2c(n1)CN(Cc1cc3ccccc3s1)CC2.
What is the InChIKey of 7-(1-benzothiophen-2-ylmethyl)-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is DXHWSSDQDXLURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3S/c1-2-5-19-20-11-15-8-9-22(13-17(15)21-19)12-16-10-14-6-3-4-7-18(14)23-16/h3-4,6-7,10-11H,2,5,8-9,12-13H2,1H3.
What are the key properties of 7-(1-benzothiophen-2-ylmethyl)-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
7-(1-benzothiophen-2-ylmethyl)-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 323.47 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-benzothiophen-2-ylmethyl)-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 24931317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).