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

C14H14ClN3 — CID 69329064

IUPAC7-[(3-chlorophenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESClc1cccc(CN2CCc3cncnc3C2)c1
InChIInChI=1S/C14H14ClN3/c15-13-3-1-2-11(6-13)8-18-5-4-12-7-16-10-17-14(12)9-18/h1-3,6-7,10H,4-5,8-9H2
InChIKeyZONQKBJCSUYYIP-UHFFFAOYSA-N
MW259.74 g/mol
LogP2.69
Rot. Bonds2

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

7-[(3-chlorophenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 69329064) has the molecular formula C14H14ClN3 and a molecular weight of 259.74 g/mol. Its IUPAC name is 7-[(3-chlorophenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name7-[(3-chlorophenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID69329064
Molecular FormulaC14H14ClN3
Molecular Weight259.74 g/mol
Exact Mass259.09
IUPAC Name7-[(3-chlorophenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESClc1cccc(CN2CCc3cncnc3C2)c1
InChIInChI=1S/C14H14ClN3/c15-13-3-1-2-11(6-13)8-18-5-4-12-7-16-10-17-14(12)9-18/h1-3,6-7,10H,4-5,8-9H2
InChIKeyZONQKBJCSUYYIP-UHFFFAOYSA-N
XLogP2.69
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-chlorophenyl)methyl]pyrrolidine
CID 12738005
6-[(3-chlorophenyl)methyl]-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 46346006
6-[(3-chlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine
CID 625687
7-benzyl-4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 58378136
1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-phenylmethoxypropan-2-ol
CID 56780820
1-[(3-chlorophenyl)methyl]pyrrolidine;ethane;methanol
CID 145435843
6-[(3-chlorophenyl)methyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
CID 42644799
7-[[3-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 69267923
7-[(2-pyrimidin-5-ylpyrimidin-5-yl)methyl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 167907458
1-[(3-chlorophenyl)methyl]-4-(3-chloro-4-pyridinyl)piperazine
CID 133358248
4-(chloromethyl)-1-[(3-chlorophenyl)methyl]piperidine
CID 63387553
7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 155676329

Frequently Asked Questions

What is the IUPAC name of 7-[(3-chlorophenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 7-[(3-chlorophenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 69329064) is 7-[(3-chlorophenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 7-[(3-chlorophenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 7-[(3-chlorophenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is Clc1cccc(CN2CCc3cncnc3C2)c1.
What is the InChIKey of 7-[(3-chlorophenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is ZONQKBJCSUYYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3/c15-13-3-1-2-11(6-13)8-18-5-4-12-7-16-10-17-14(12)9-18/h1-3,6-7,10H,4-5,8-9H2.
What are the key properties of 7-[(3-chlorophenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
7-[(3-chlorophenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 259.74 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-chlorophenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 69329064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).