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

C20H19N3O — CID 71271652

IUPAC4-(3-methylphenyl)-2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine
SMILESCc1cccc(-c2nc(-c3cccc(C)n3)nc3c2CCCO3)c1
InChIInChI=1S/C20H19N3O/c1-13-6-3-8-15(12-13)18-16-9-5-11-24-20(16)23-19(22-18)17-10-4-7-14(2)21-17/h3-4,6-8,10,12H,5,9,11H2,1-2H3
InChIKeyLOWBEKSNEPMSDK-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.15
Rot. Bonds2

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

4-(3-methylphenyl)-2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine (PubChem CID 71271652) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 4-(3-methylphenyl)-2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(3-methylphenyl)-2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine
PubChem CID71271652
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name4-(3-methylphenyl)-2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine
SMILESCc1cccc(-c2nc(-c3cccc(C)n3)nc3c2CCCO3)c1
InChIInChI=1S/C20H19N3O/c1-13-6-3-8-15(12-13)18-16-9-5-11-24-20(16)23-19(22-18)17-10-4-7-14(2)21-17/h3-4,6-8,10,12H,5,9,11H2,1-2H3
InChIKeyLOWBEKSNEPMSDK-UHFFFAOYSA-N
XLogP4.15
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine?
The IUPAC name of 4-(3-methylphenyl)-2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine (CID 71271652) is 4-(3-methylphenyl)-2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine.
What is the SMILES notation for 4-(3-methylphenyl)-2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine?
The canonical SMILES for 4-(3-methylphenyl)-2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine is Cc1cccc(-c2nc(-c3cccc(C)n3)nc3c2CCCO3)c1.
What is the InChIKey of 4-(3-methylphenyl)-2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine?
The InChIKey is LOWBEKSNEPMSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-13-6-3-8-15(12-13)18-16-9-5-11-24-20(16)23-19(22-18)17-10-4-7-14(2)21-17/h3-4,6-8,10,12H,5,9,11H2,1-2H3.
What are the key properties of 4-(3-methylphenyl)-2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine?
4-(3-methylphenyl)-2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine has a molecular weight of 317.39 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine is sourced from PubChem (CID 71271652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).