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

C18H21BrN4 — CID 20960641

IUPAC6-[(3-bromophenyl)methyl]-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESBrc1cccc(CN2CCc3nc(N4CCCC4)ncc3C2)c1
InChIInChI=1S/C18H21BrN4/c19-16-5-3-4-14(10-16)12-22-9-6-17-15(13-22)11-20-18(21-17)23-7-1-2-8-23/h3-5,10-11H,1-2,6-9,12-13H2
InChIKeyWFAHWXJDGGUGFZ-UHFFFAOYSA-N
MW373.30 g/mol
LogP3.40
Rot. Bonds3

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

6-[(3-bromophenyl)methyl]-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 20960641) has the molecular formula C18H21BrN4 and a molecular weight of 373.30 g/mol. Its IUPAC name is 6-[(3-bromophenyl)methyl]-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(3-bromophenyl)methyl]-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID20960641
Molecular FormulaC18H21BrN4
Molecular Weight373.30 g/mol
Exact Mass372.09
IUPAC Name6-[(3-bromophenyl)methyl]-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESBrc1cccc(CN2CCc3nc(N4CCCC4)ncc3C2)c1
InChIInChI=1S/C18H21BrN4/c19-16-5-3-4-14(10-16)12-22-9-6-17-15(13-22)11-20-18(21-17)23-7-1-2-8-23/h3-5,10-11H,1-2,6-9,12-13H2
InChIKeyWFAHWXJDGGUGFZ-UHFFFAOYSA-N
XLogP3.40
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.30
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-bromophenyl)methyl]-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(3-bromophenyl)methyl]-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 20960641) is 6-[(3-bromophenyl)methyl]-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(3-bromophenyl)methyl]-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(3-bromophenyl)methyl]-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Brc1cccc(CN2CCc3nc(N4CCCC4)ncc3C2)c1.
What is the InChIKey of 6-[(3-bromophenyl)methyl]-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is WFAHWXJDGGUGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN4/c19-16-5-3-4-14(10-16)12-22-9-6-17-15(13-22)11-20-18(21-17)23-7-1-2-8-23/h3-5,10-11H,1-2,6-9,12-13H2.
What are the key properties of 6-[(3-bromophenyl)methyl]-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(3-bromophenyl)methyl]-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 373.30 g/mol, XLogP of 3.40, 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-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 20960641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).