2-cyclopropyl-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

C18H21N3O — CID 24930292

IUPAC2-cyclopropyl-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCOc1ccc(CN2CCc3cnc(C4CC4)nc3C2)cc1
InChIInChI=1S/C18H21N3O/c1-22-16-6-2-13(3-7-16)11-21-9-8-15-10-19-18(14-4-5-14)20-17(15)12-21/h2-3,6-7,10,14H,4-5,8-9,11-12H2,1H3
InChIKeyYFRHSQNXJMTGDS-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.92
Rot. Bonds4

About 2-cyclopropyl-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

2-cyclopropyl-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 24930292) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-cyclopropyl-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-cyclopropyl-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID24930292
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name2-cyclopropyl-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCOc1ccc(CN2CCc3cnc(C4CC4)nc3C2)cc1
InChIInChI=1S/C18H21N3O/c1-22-16-6-2-13(3-7-16)11-21-9-8-15-10-19-18(14-4-5-14)20-17(15)12-21/h2-3,6-7,10,14H,4-5,8-9,11-12H2,1H3
InChIKeyYFRHSQNXJMTGDS-UHFFFAOYSA-N
XLogP2.92
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-[(6-chloro-3-pyridinyl)methyl]-2-cyclopropyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931195
2-cyclopropyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931636
7-[(4-methoxyphenyl)methyl]-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930303
1-[(3R)-3-[6-[(4-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 92549101
2-(4-chlorophenyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930296
2-[(2-cyclopropyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]phenol
CID 24930355
2-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenol
CID 24929714
7-[(4-methoxyphenyl)methyl]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930307
2-cyclohexyl-6-[(2-fluoro-5-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929528
methyl 3-[(2-cyclohexyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]benzoate
CID 24930232
2-cyclopropyl-6-[(3,4-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24930113
7-[(1-benzylpiperidin-4-yl)methyl]-2-cyclohexyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931513

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 2-cyclopropyl-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 24930292) is 2-cyclopropyl-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-cyclopropyl-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-cyclopropyl-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is COc1ccc(CN2CCc3cnc(C4CC4)nc3C2)cc1.
What is the InChIKey of 2-cyclopropyl-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is YFRHSQNXJMTGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-22-16-6-2-13(3-7-16)11-21-9-8-15-10-19-18(14-4-5-14)20-17(15)12-21/h2-3,6-7,10,14H,4-5,8-9,11-12H2,1H3.
What are the key properties of 2-cyclopropyl-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
2-cyclopropyl-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 295.39 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 24930292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).