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

C18H17N5 — CID 24931669

IUPAC2-pyridin-2-yl-7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESc1ccc(CN2CCc3cnc(-c4ccccn4)nc3C2)nc1
InChIInChI=1S/C18H17N5/c1-3-8-19-15(5-1)12-23-10-7-14-11-21-18(22-17(14)13-23)16-6-2-4-9-20-16/h1-6,8-9,11H,7,10,12-13H2
InChIKeyUMAPPTULTXJNMV-UHFFFAOYSA-N
MW303.37 g/mol
LogP2.49
Rot. Bonds3

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

2-pyridin-2-yl-7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 24931669) has the molecular formula C18H17N5 and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-pyridin-2-yl-7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-pyridin-2-yl-7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID24931669
Molecular FormulaC18H17N5
Molecular Weight303.37 g/mol
Exact Mass303.15
IUPAC Name2-pyridin-2-yl-7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESc1ccc(CN2CCc3cnc(-c4ccccn4)nc3C2)nc1
InChIInChI=1S/C18H17N5/c1-3-8-19-15(5-1)12-23-10-7-14-11-21-18(22-17(14)13-23)16-6-2-4-9-20-16/h1-6,8-9,11H,7,10,12-13H2
InChIKeyUMAPPTULTXJNMV-UHFFFAOYSA-N
XLogP2.49
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyridin-2-yl-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931585
2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 157029881
4-[7-[(6-methyl-2-pyridinyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]aniline
CID 24931259
7-[(4,6-dichloropyrimidin-5-yl)methyl]-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930870
2-pyridin-4-yl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931692
7-[(2-methylphenyl)methyl]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930286
7-[(4-methoxyphenyl)methyl]-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930303
4-[7-[(5-phenyl-1,2-oxazol-3-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]aniline
CID 24931133
7-[(4-methylphenyl)methyl]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930328
4-[7-[(2-methylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]aniline
CID 24930272
6-[(6-bromo-2-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912694
7-ethyl-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930411

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 2-pyridin-2-yl-7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 24931669) is 2-pyridin-2-yl-7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-pyridin-2-yl-7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-pyridin-2-yl-7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is c1ccc(CN2CCc3cnc(-c4ccccn4)nc3C2)nc1.
What is the InChIKey of 2-pyridin-2-yl-7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is UMAPPTULTXJNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5/c1-3-8-19-15(5-1)12-23-10-7-14-11-21-18(22-17(14)13-23)16-6-2-4-9-20-16/h1-6,8-9,11H,7,10,12-13H2.
What are the key properties of 2-pyridin-2-yl-7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
2-pyridin-2-yl-7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 303.37 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 24931669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).