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

C21H28N4 — CID 110240567

IUPAC6-(2-phenylpropyl)-2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCC(CN1CCc2nc(C3CCCCN3)ncc2C1)c1ccccc1
InChIInChI=1S/C21H28N4/c1-16(17-7-3-2-4-8-17)14-25-12-10-19-18(15-25)13-23-21(24-19)20-9-5-6-11-22-20/h2-4,7-8,13,16,20,22H,5-6,9-12,14-15H2,1H3
InChIKeyQFPMVKDOFNKWCF-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.45
Rot. Bonds4

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

6-(2-phenylpropyl)-2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 110240567) has the molecular formula C21H28N4 and a molecular weight of 336.48 g/mol. Its IUPAC name is 6-(2-phenylpropyl)-2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-(2-phenylpropyl)-2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID110240567
Molecular FormulaC21H28N4
Molecular Weight336.48 g/mol
Exact Mass336.23
IUPAC Name6-(2-phenylpropyl)-2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCC(CN1CCc2nc(C3CCCCN3)ncc2C1)c1ccccc1
InChIInChI=1S/C21H28N4/c1-16(17-7-3-2-4-8-17)14-25-12-10-19-18(15-25)13-23-21(24-19)20-9-5-6-11-22-20/h2-4,7-8,13,16,20,22H,5-6,9-12,14-15H2,1H3
InChIKeyQFPMVKDOFNKWCF-UHFFFAOYSA-N
XLogP3.45
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(2-phenylpropyl)-2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Related Compounds

6-[(2S)-2-phenylpropyl]-2-[(2R)-piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 124822299
6-[(3R)-3-phenylbutyl]-2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 124823953
6-[(2-chlorophenyl)methyl]-2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 92572923
1-[4-[6-(2-phenylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110241796
1-[4-[6-[(2R)-2-phenylpropyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 92581997
6-[(3-fluorophenyl)methyl]-2-[(2S)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 92568658
3-methyl-1-(2-pyrrolidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butan-1-one
CID 110240958
3-methyl-1-[2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one
CID 92578997
2-(2-fluorophenoxy)-1-(2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butan-1-one
CID 110240574
isoquinolin-1-yl-(2-pyrrolidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 110240984
(2,4-dihydroxy-5-propan-2-ylphenyl)-(2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 141420014
[4-(2-methoxyethoxy)phenyl]-(2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 110243530

Frequently Asked Questions

What is the IUPAC name of 6-(2-phenylpropyl)-2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-(2-phenylpropyl)-2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 110240567) is 6-(2-phenylpropyl)-2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-(2-phenylpropyl)-2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-(2-phenylpropyl)-2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CC(CN1CCc2nc(C3CCCCN3)ncc2C1)c1ccccc1.
What is the InChIKey of 6-(2-phenylpropyl)-2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is QFPMVKDOFNKWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4/c1-16(17-7-3-2-4-8-17)14-25-12-10-19-18(15-25)13-23-21(24-19)20-9-5-6-11-22-20/h2-4,7-8,13,16,20,22H,5-6,9-12,14-15H2,1H3.
What are the key properties of 6-(2-phenylpropyl)-2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-(2-phenylpropyl)-2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 336.48 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylpropyl)-2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 110240567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).