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

C18H16BrN5 — CID 24912694

IUPAC6-[(6-bromo-2-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESBrc1cccc(CN2CCc3nc(-c4ccncc4)ncc3C2)n1
InChIInChI=1S/C18H16BrN5/c19-17-3-1-2-15(22-17)12-24-9-6-16-14(11-24)10-21-18(23-16)13-4-7-20-8-5-13/h1-5,7-8,10H,6,9,11-12H2
InChIKeyQMFOJANEBVQJMY-UHFFFAOYSA-N
MW382.27 g/mol
LogP3.25
Rot. Bonds3

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

6-[(6-bromo-2-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24912694) has the molecular formula C18H16BrN5 and a molecular weight of 382.27 g/mol. Its IUPAC name is 6-[(6-bromo-2-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(6-bromo-2-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24912694
Molecular FormulaC18H16BrN5
Molecular Weight382.27 g/mol
Exact Mass381.06
IUPAC Name6-[(6-bromo-2-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESBrc1cccc(CN2CCc3nc(-c4ccncc4)ncc3C2)n1
InChIInChI=1S/C18H16BrN5/c19-17-3-1-2-15(22-17)12-24-9-6-16-14(11-24)10-21-18(23-16)13-4-7-20-8-5-13/h1-5,7-8,10H,6,9,11-12H2
InChIKeyQMFOJANEBVQJMY-UHFFFAOYSA-N
XLogP3.25
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.27
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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

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Related Compounds

2-pyridin-4-yl-6-(pyrimidin-5-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913429
5-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-oxazole
CID 24912127
6-(1-benzofuran-2-ylmethyl)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909085
6-[(3,5-dichloro-4-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913681
5-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrimidin-2-amine
CID 24913513
5-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole
CID 24912169
6-[(4-chloro-3-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913723
6-[(3,5-dibromo-4-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915736
6-[(5-chloro-3-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917775
6-[(3-bromo-4-pyridinyl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915026
4-methyl-2-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole
CID 24909127
6-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917187

Frequently Asked Questions

What is the IUPAC name of 6-[(6-bromo-2-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(6-bromo-2-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24912694) is 6-[(6-bromo-2-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(6-bromo-2-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(6-bromo-2-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Brc1cccc(CN2CCc3nc(-c4ccncc4)ncc3C2)n1.
What is the InChIKey of 6-[(6-bromo-2-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is QMFOJANEBVQJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN5/c19-17-3-1-2-15(22-17)12-24-9-6-16-14(11-24)10-21-18(23-16)13-4-7-20-8-5-13/h1-5,7-8,10H,6,9,11-12H2.
What are the key properties of 6-[(6-bromo-2-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(6-bromo-2-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 382.27 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-bromo-2-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24912694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).