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

C20H26BrN5 — CID 20960708

IUPAC6-[(3-bromophenyl)methyl]-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCN1CCN(c2ncc3c(n2)CCN(Cc2cccc(Br)c2)C3)CC1
InChIInChI=1S/C20H26BrN5/c1-2-24-8-10-26(11-9-24)20-22-13-17-15-25(7-6-19(17)23-20)14-16-4-3-5-18(21)12-16/h3-5,12-13H,2,6-11,14-15H2,1H3
InChIKeyLBMXHFZRTQIWBL-UHFFFAOYSA-N
MW416.37 g/mol
LogP2.94
Rot. Bonds4

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

6-[(3-bromophenyl)methyl]-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 20960708) has the molecular formula C20H26BrN5 and a molecular weight of 416.37 g/mol. Its IUPAC name is 6-[(3-bromophenyl)methyl]-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(3-bromophenyl)methyl]-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID20960708
Molecular FormulaC20H26BrN5
Molecular Weight416.37 g/mol
Exact Mass415.14
IUPAC Name6-[(3-bromophenyl)methyl]-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCN1CCN(c2ncc3c(n2)CCN(Cc2cccc(Br)c2)C3)CC1
InChIInChI=1S/C20H26BrN5/c1-2-24-8-10-26(11-9-24)20-22-13-17-15-25(7-6-19(17)23-20)14-16-4-3-5-18(21)12-16/h3-5,12-13H,2,6-11,14-15H2,1H3
InChIKeyLBMXHFZRTQIWBL-UHFFFAOYSA-N
XLogP2.94
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.37
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-bromophenyl)methyl]-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(3-bromophenyl)methyl]-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 20960708) is 6-[(3-bromophenyl)methyl]-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(3-bromophenyl)methyl]-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(3-bromophenyl)methyl]-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CCN1CCN(c2ncc3c(n2)CCN(Cc2cccc(Br)c2)C3)CC1.
What is the InChIKey of 6-[(3-bromophenyl)methyl]-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is LBMXHFZRTQIWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26BrN5/c1-2-24-8-10-26(11-9-24)20-22-13-17-15-25(7-6-19(17)23-20)14-16-4-3-5-18(21)12-16/h3-5,12-13H,2,6-11,14-15H2,1H3.
What are the key properties of 6-[(3-bromophenyl)methyl]-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(3-bromophenyl)methyl]-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 416.37 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-bromophenyl)methyl]-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 20960708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).