6-[[4-(3-bromophenyl)-3-pyridinyl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C22H23BrN4 — CID 24911352

IUPAC6-[[4-(3-bromophenyl)-3-pyridinyl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCCc1ncc2c(n1)CCN(Cc1cnccc1-c1cccc(Br)c1)C2
InChIInChI=1S/C22H23BrN4/c1-2-4-22-25-13-18-15-27(10-8-21(18)26-22)14-17-12-24-9-7-20(17)16-5-3-6-19(23)11-16/h3,5-7,9,11-13H,2,4,8,10,14-15H2,1H3
InChIKeyYOPUTYRRYIIYMI-UHFFFAOYSA-N
MW423.36 g/mol
LogP4.81
Rot. Bonds5

About 6-[[4-(3-bromophenyl)-3-pyridinyl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[[4-(3-bromophenyl)-3-pyridinyl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24911352) has the molecular formula C22H23BrN4 and a molecular weight of 423.36 g/mol. Its IUPAC name is 6-[[4-(3-bromophenyl)-3-pyridinyl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[[4-(3-bromophenyl)-3-pyridinyl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24911352
Molecular FormulaC22H23BrN4
Molecular Weight423.36 g/mol
Exact Mass422.11
IUPAC Name6-[[4-(3-bromophenyl)-3-pyridinyl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCCc1ncc2c(n1)CCN(Cc1cnccc1-c1cccc(Br)c1)C2
InChIInChI=1S/C22H23BrN4/c1-2-4-22-25-13-18-15-27(10-8-21(18)26-22)14-17-12-24-9-7-20(17)16-5-3-6-19(23)11-16/h3,5-7,9,11-13H,2,4,8,10,14-15H2,1H3
InChIKeyYOPUTYRRYIIYMI-UHFFFAOYSA-N
XLogP4.81
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.36
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[[4-(3-bromophenyl)-3-pyridinyl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Related Compounds

6-[[4-(3-bromophenyl)-3-pyridinyl]methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911361
4-[6-[[4-(3-bromophenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline
CID 24911358
6-[(4-chloro-3-pyridinyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913725
6-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912612
6-[(2,6-dimethylphenyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928995
6-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929457
6-[(2,3-dimethoxyphenyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928302
6-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912003
6-[(6-chloro-2-methyl-3-pyridinyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24916560
2-propyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929877
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

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(3-bromophenyl)-3-pyridinyl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[[4-(3-bromophenyl)-3-pyridinyl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24911352) is 6-[[4-(3-bromophenyl)-3-pyridinyl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[[4-(3-bromophenyl)-3-pyridinyl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[[4-(3-bromophenyl)-3-pyridinyl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CCCc1ncc2c(n1)CCN(Cc1cnccc1-c1cccc(Br)c1)C2.
What is the InChIKey of 6-[[4-(3-bromophenyl)-3-pyridinyl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is YOPUTYRRYIIYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrN4/c1-2-4-22-25-13-18-15-27(10-8-21(18)26-22)14-17-12-24-9-7-20(17)16-5-3-6-19(23)11-16/h3,5-7,9,11-13H,2,4,8,10,14-15H2,1H3.
What are the key properties of 6-[[4-(3-bromophenyl)-3-pyridinyl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[[4-(3-bromophenyl)-3-pyridinyl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 423.36 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(3-bromophenyl)-3-pyridinyl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24911352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).