7-benzyl-2,5,6,8-tetrahydro-1H-pyrido[3,4-d]pyrimidine

C14H17N3 — CID 154458291

IUPAC7-benzyl-2,5,6,8-tetrahydro-1H-pyrido[3,4-d]pyrimidine
SMILESC1=NCNC2=C1CCN(Cc1ccccc1)C2
InChIInChI=1S/C14H17N3/c1-2-4-12(5-3-1)9-17-7-6-13-8-15-11-16-14(13)10-17/h1-5,8,16H,6-7,9-11H2
InChIKeyALHHDMKYEGMMOQ-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.78
Rot. Bonds2

About 7-benzyl-2,5,6,8-tetrahydro-1H-pyrido[3,4-d]pyrimidine

7-benzyl-2,5,6,8-tetrahydro-1H-pyrido[3,4-d]pyrimidine (PubChem CID 154458291) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 7-benzyl-2,5,6,8-tetrahydro-1H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name7-benzyl-2,5,6,8-tetrahydro-1H-pyrido[3,4-d]pyrimidine
PubChem CID154458291
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name7-benzyl-2,5,6,8-tetrahydro-1H-pyrido[3,4-d]pyrimidine
SMILESC1=NCNC2=C1CCN(Cc1ccccc1)C2
InChIInChI=1S/C14H17N3/c1-2-4-12(5-3-1)9-17-7-6-13-8-15-11-16-14(13)10-17/h1-5,8,16H,6-7,9-11H2
InChIKeyALHHDMKYEGMMOQ-UHFFFAOYSA-N
XLogP1.78
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-6-(pyridin-2-ylmethyl)-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine
CID 67376288
6-benzyl-3,4,5,7-tetrahydro-1H-pyrrolo[2,3-c]pyridin-2-one;ethane
CID 144859798
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
(5-benzyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)methanamine
CID 82386780
1-benzyl-4,5-diethyl-3,6-dihydro-2H-pyridine
CID 70971463
azane;1-benzylpiperazine
CID 174866973
4-benzyl-3,5-dihydro-2H-pyrazine
CID 142271206
1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-amine
CID 139357568
(3Z,4E)-1-benzyl-3,4-di(ethylidene)piperidine
CID 10911293
2-benzyl-6-[(6-chloro-3-pyridinyl)methyl]-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine
CID 141302991
5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 67958777
2-benzyl-1,3,4,5-tetrahydro-2-benzazepine;dihydrochloride
CID 142634815

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-2,5,6,8-tetrahydro-1H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 7-benzyl-2,5,6,8-tetrahydro-1H-pyrido[3,4-d]pyrimidine (CID 154458291) is 7-benzyl-2,5,6,8-tetrahydro-1H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 7-benzyl-2,5,6,8-tetrahydro-1H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 7-benzyl-2,5,6,8-tetrahydro-1H-pyrido[3,4-d]pyrimidine is C1=NCNC2=C1CCN(Cc1ccccc1)C2.
What is the InChIKey of 7-benzyl-2,5,6,8-tetrahydro-1H-pyrido[3,4-d]pyrimidine?
The InChIKey is ALHHDMKYEGMMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-2-4-12(5-3-1)9-17-7-6-13-8-15-11-16-14(13)10-17/h1-5,8,16H,6-7,9-11H2.
What are the key properties of 7-benzyl-2,5,6,8-tetrahydro-1H-pyrido[3,4-d]pyrimidine?
7-benzyl-2,5,6,8-tetrahydro-1H-pyrido[3,4-d]pyrimidine has a molecular weight of 227.31 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-2,5,6,8-tetrahydro-1H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 154458291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).