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

C19H16ClN3O — CID 71276600

IUPAC4-(4-chlorophenyl)-2-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine
SMILESCc1cccc(-c2nc3c(c(-c4ccc(Cl)cc4)n2)CCOC3)n1
InChIInChI=1S/C19H16ClN3O/c1-12-3-2-4-16(21-12)19-22-17-11-24-10-9-15(17)18(23-19)13-5-7-14(20)8-6-13/h2-8H,9-11H2,1H3
InChIKeyLVNBQEHRZUOICA-UHFFFAOYSA-N
MW337.81 g/mol
LogP4.24
Rot. Bonds2

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

4-(4-chlorophenyl)-2-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine (PubChem CID 71276600) has the molecular formula C19H16ClN3O and a molecular weight of 337.81 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine
PubChem CID71276600
Molecular FormulaC19H16ClN3O
Molecular Weight337.81 g/mol
Exact Mass337.10
IUPAC Name4-(4-chlorophenyl)-2-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine
SMILESCc1cccc(-c2nc3c(c(-c4ccc(Cl)cc4)n2)CCOC3)n1
InChIInChI=1S/C19H16ClN3O/c1-12-3-2-4-16(21-12)19-22-17-11-24-10-9-15(17)18(23-19)13-5-7-14(20)8-6-13/h2-8H,9-11H2,1H3
InChIKeyLVNBQEHRZUOICA-UHFFFAOYSA-N
XLogP4.24
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

4-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazoline
CID 71276578
6,6-dimethyl-2-(6-methyl-2-pyridinyl)-4-phenyl-7,8-dihydro-5H-quinazoline
CID 71271580
4-(6-methoxy-3-pyridinyl)-2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 71276522
2-(6-methyl-2-pyridinyl)-4-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 71271326
4-(3-methylphenyl)-2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine
CID 71271652
2-(6-methyl-2-pyridinyl)-4-thiophen-2-yl-5,6,7,8-tetrahydroquinazoline
CID 71276597
(E)-N-methoxy-2-(6-methyl-2-pyridinyl)-4-phenyl-7,8-dihydro-6H-quinazolin-5-imine
CID 89415255
5-bromo-2-(6-methyl-2-pyridinyl)-6-phenylpyrimidin-4-amine
CID 66291892
4-(3-methoxyphenyl)-8,8-dimethyl-2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-quinazoline
CID 71276555
4-(2-ethoxyphenyl)-2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 71276634
4-bromo-6-chloro-2-(6-methyl-2-pyridinyl)quinazoline
CID 87944776
8-methyl-2-(6-methyl-2-pyridinyl)-4-phenylquinazoline
CID 67701313

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine?
The IUPAC name of 4-(4-chlorophenyl)-2-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine (CID 71276600) is 4-(4-chlorophenyl)-2-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine.
What is the SMILES notation for 4-(4-chlorophenyl)-2-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine?
The canonical SMILES for 4-(4-chlorophenyl)-2-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine is Cc1cccc(-c2nc3c(c(-c4ccc(Cl)cc4)n2)CCOC3)n1.
What is the InChIKey of 4-(4-chlorophenyl)-2-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine?
The InChIKey is LVNBQEHRZUOICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O/c1-12-3-2-4-16(21-12)19-22-17-11-24-10-9-15(17)18(23-19)13-5-7-14(20)8-6-13/h2-8H,9-11H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-2-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine?
4-(4-chlorophenyl)-2-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine has a molecular weight of 337.81 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine is sourced from PubChem (CID 71276600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).