2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine

C19H16ClN3O — CID 56956272

IUPAC2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
SMILESClc1ccccc1Cc1cccc(-c2ncc3c(n2)CCOC3)n1
InChIInChI=1S/C19H16ClN3O/c20-16-6-2-1-4-13(16)10-15-5-3-7-18(22-15)19-21-11-14-12-24-9-8-17(14)23-19/h1-7,11H,8-10,12H2
InChIKeyLXOWYRBJXKPNOY-UHFFFAOYSA-N
MW337.81 g/mol
LogP3.86
Rot. Bonds3

About 2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine

2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (PubChem CID 56956272) has the molecular formula C19H16ClN3O and a molecular weight of 337.81 g/mol. Its IUPAC name is 2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
PubChem CID56956272
Molecular FormulaC19H16ClN3O
Molecular Weight337.81 g/mol
Exact Mass337.10
IUPAC Name2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
SMILESClc1ccccc1Cc1cccc(-c2ncc3c(n2)CCOC3)n1
InChIInChI=1S/C19H16ClN3O/c20-16-6-2-1-4-13(16)10-15-5-3-7-18(22-15)19-21-11-14-12-24-9-8-17(14)23-19/h1-7,11H,8-10,12H2
InChIKeyLXOWYRBJXKPNOY-UHFFFAOYSA-N
XLogP3.86
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine with MolForge

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Launch Full Analysis

Related Compounds

2-Phenyl-1'-pyrimidin-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
CID 118739470
4-Chloro-2-(2-phenylmethoxyethyl)-7-[3-(trifluoromethyl)pyridin-2-yl]quinazoline
CID 22030134
4-Chloro-2-(3-phenylmethoxypropyl)-7-[3-(trifluoromethyl)pyridin-2-yl]quinazoline
CID 22030428
[5-chloro-6-[(3S)-4-[6-(4-fluorophenyl)-2-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-3-pyridinyl]methyl formate
CID 58095510
2-tert-butyl-4-[5-chloro-4-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2H-pyridin-1-yl]-2-pyridinyl]pyrimidine
CID 67777477
4-[4-[3-bromo-4-[(4-fluorophenyl)methoxy]-6-methyl-2H-pyridin-1-yl]-5-chloro-2-pyridinyl]-2-propan-2-ylpyrimidine
CID 67777799
2-tert-butyl-4-[5-chloro-4-[4-[(2,4-difluorophenyl)methoxy]-3,6-dimethyl-2H-pyridin-1-yl]-2-pyridinyl]pyrimidine
CID 67778287
2-(5-Chloro-2-fluorophenyl)-4-[5-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-3-pyridinyl]-1,8-naphthyridine
CID 71008496
6-(3-fluoro-5-methylphenyl)-5-methoxy-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 122669797
2-(2-chloro-6-fluorophenyl)-4-[(2S)-1-methyl-4-pyrimidin-4-yl-2H-pyrimidin-2-yl]morpholine
CID 141064455
4-[5-chloro-4-[4-[(4-fluorophenyl)methoxy]-3,6-dimethyl-2H-pyridin-1-yl]-2-pyridinyl]-2-propan-2-ylpyrimidine
CID 141340200
4-[5-chloro-4-[3-chloro-4-[(4-fluorophenyl)methoxy]-6-methyl-2H-pyridin-1-yl]-2-pyridinyl]-2-propan-2-ylpyrimidine
CID 141340215

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The IUPAC name of 2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (CID 56956272) is 2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine.
What is the SMILES notation for 2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The canonical SMILES for 2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is Clc1ccccc1Cc1cccc(-c2ncc3c(n2)CCOC3)n1.
What is the InChIKey of 2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The InChIKey is LXOWYRBJXKPNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O/c20-16-6-2-1-4-13(16)10-15-5-3-7-18(22-15)19-21-11-14-12-24-9-8-17(14)23-19/h1-7,11H,8-10,12H2.
What are the key properties of 2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine has a molecular weight of 337.81 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is sourced from PubChem (CID 56956272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).