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

C20H25BrN4 — CID 46346067

IUPAC6-[(3-bromophenyl)methyl]-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCC1CCN(c2ncc3c(n2)CCN(Cc2cccc(Br)c2)C3)CC1
InChIInChI=1S/C20H25BrN4/c1-15-5-9-25(10-6-15)20-22-12-17-14-24(8-7-19(17)23-20)13-16-3-2-4-18(21)11-16/h2-4,11-12,15H,5-10,13-14H2,1H3
InChIKeyFRGWNSHQWHQYLY-UHFFFAOYSA-N
MW401.35 g/mol
LogP4.03
Rot. Bonds3

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

6-[(3-bromophenyl)methyl]-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 46346067) has the molecular formula C20H25BrN4 and a molecular weight of 401.35 g/mol. Its IUPAC name is 6-[(3-bromophenyl)methyl]-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(3-bromophenyl)methyl]-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID46346067
Molecular FormulaC20H25BrN4
Molecular Weight401.35 g/mol
Exact Mass400.13
IUPAC Name6-[(3-bromophenyl)methyl]-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCC1CCN(c2ncc3c(n2)CCN(Cc2cccc(Br)c2)C3)CC1
InChIInChI=1S/C20H25BrN4/c1-15-5-9-25(10-6-15)20-22-12-17-14-24(8-7-19(17)23-20)13-16-3-2-4-18(21)11-16/h2-4,11-12,15H,5-10,13-14H2,1H3
InChIKeyFRGWNSHQWHQYLY-UHFFFAOYSA-N
XLogP4.03
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.35
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[(3-bromophenyl)methyl]-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Related Compounds

6-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 46346087
6-[(3-bromophenyl)methyl]-N-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 20960358
6-[(4-bromophenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960861
6-[(3-fluorophenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960851
6-[(3-ethoxyphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960959
6-[(3,5-difluorophenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960889
6-[(3,4-diethoxyphenyl)methyl]-2-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960837
2-(4-cyclobutylpiperazin-1-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 59670560
2-(4-methylpiperazin-1-yl)-6-[(3,4,5-trimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960687
2-(4-methylpiperazin-1-yl)-6-[(3,4,5-trimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;dihydrochloride
CID 146059840
6-[(2-chlorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960723
2-cyclopropyl-6-[(3,4-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24930113

Frequently Asked Questions

What is the IUPAC name of 6-[(3-bromophenyl)methyl]-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(3-bromophenyl)methyl]-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 46346067) is 6-[(3-bromophenyl)methyl]-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(3-bromophenyl)methyl]-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(3-bromophenyl)methyl]-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CC1CCN(c2ncc3c(n2)CCN(Cc2cccc(Br)c2)C3)CC1.
What is the InChIKey of 6-[(3-bromophenyl)methyl]-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is FRGWNSHQWHQYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN4/c1-15-5-9-25(10-6-15)20-22-12-17-14-24(8-7-19(17)23-20)13-16-3-2-4-18(21)11-16/h2-4,11-12,15H,5-10,13-14H2,1H3.
What are the key properties of 6-[(3-bromophenyl)methyl]-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(3-bromophenyl)methyl]-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 401.35 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-bromophenyl)methyl]-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 46346067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).