N-[1-(4-bromophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

C21H22BrN5 — CID 25033332

IUPACN-[1-(4-bromophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCc1ccc(N2CCc3ncnc(NC(C)c4ccc(Br)cc4)c3C2)nc1
InChIInChI=1S/C21H22BrN5/c1-14-3-8-20(23-11-14)27-10-9-19-18(12-27)21(25-13-24-19)26-15(2)16-4-6-17(22)7-5-16/h3-8,11,13,15H,9-10,12H2,1-2H3,(H,24,25,26)
InChIKeyYVOGFFAHHJCXSZ-UHFFFAOYSA-N
MW424.35 g/mol
LogP4.68
Rot. Bonds4

About N-[1-(4-bromophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

N-[1-(4-bromophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 25033332) has the molecular formula C21H22BrN5 and a molecular weight of 424.35 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
PubChem CID25033332
Molecular FormulaC21H22BrN5
Molecular Weight424.35 g/mol
Exact Mass423.11
IUPAC NameN-[1-(4-bromophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCc1ccc(N2CCc3ncnc(NC(C)c4ccc(Br)cc4)c3C2)nc1
InChIInChI=1S/C21H22BrN5/c1-14-3-8-20(23-11-14)27-10-9-19-18(12-27)21(25-13-24-19)26-15(2)16-4-6-17(22)7-5-16/h3-8,11,13,15H,9-10,12H2,1-2H3,(H,24,25,26)
InChIKeyYVOGFFAHHJCXSZ-UHFFFAOYSA-N
XLogP4.68
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.35
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(4-bromophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (CID 25033332) is N-[1-(4-bromophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is Cc1ccc(N2CCc3ncnc(NC(C)c4ccc(Br)cc4)c3C2)nc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is YVOGFFAHHJCXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22BrN5/c1-14-3-8-20(23-11-14)27-10-9-19-18(12-27)21(25-13-24-19)26-15(2)16-4-6-17(22)7-5-16/h3-8,11,13,15H,9-10,12H2,1-2H3,(H,24,25,26).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
N-[1-(4-bromophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 424.35 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 25033332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).