4-(2-methoxyphenyl)-6,6-dimethyl-2-(6-methyl-2-pyridinyl)-5,7-dihydropyrano[2,3-d]pyrimidine

C22H23N3O2 — CID 71276575

IUPAC4-(2-methoxyphenyl)-6,6-dimethyl-2-(6-methyl-2-pyridinyl)-5,7-dihydropyrano[2,3-d]pyrimidine
SMILESCOc1ccccc1-c1nc(-c2cccc(C)n2)nc2c1CC(C)(C)CO2
InChIInChI=1S/C22H23N3O2/c1-14-8-7-10-17(23-14)20-24-19(15-9-5-6-11-18(15)26-4)16-12-22(2,3)13-27-21(16)25-20/h5-11H,12-13H2,1-4H3
InChIKeyRTGUDVQZGJZPES-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.48
Rot. Bonds3

About 4-(2-methoxyphenyl)-6,6-dimethyl-2-(6-methyl-2-pyridinyl)-5,7-dihydropyrano[2,3-d]pyrimidine

4-(2-methoxyphenyl)-6,6-dimethyl-2-(6-methyl-2-pyridinyl)-5,7-dihydropyrano[2,3-d]pyrimidine (PubChem CID 71276575) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-6,6-dimethyl-2-(6-methyl-2-pyridinyl)-5,7-dihydropyrano[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-6,6-dimethyl-2-(6-methyl-2-pyridinyl)-5,7-dihydropyrano[2,3-d]pyrimidine
PubChem CID71276575
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name4-(2-methoxyphenyl)-6,6-dimethyl-2-(6-methyl-2-pyridinyl)-5,7-dihydropyrano[2,3-d]pyrimidine
SMILESCOc1ccccc1-c1nc(-c2cccc(C)n2)nc2c1CC(C)(C)CO2
InChIInChI=1S/C22H23N3O2/c1-14-8-7-10-17(23-14)20-24-19(15-9-5-6-11-18(15)26-4)16-12-22(2,3)13-27-21(16)25-20/h5-11H,12-13H2,1-4H3
InChIKeyRTGUDVQZGJZPES-UHFFFAOYSA-N
XLogP4.48
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-6,6-dimethyl-2-(6-methyl-2-pyridinyl)-5,7-dihydropyrano[2,3-d]pyrimidine?
The IUPAC name of 4-(2-methoxyphenyl)-6,6-dimethyl-2-(6-methyl-2-pyridinyl)-5,7-dihydropyrano[2,3-d]pyrimidine (CID 71276575) is 4-(2-methoxyphenyl)-6,6-dimethyl-2-(6-methyl-2-pyridinyl)-5,7-dihydropyrano[2,3-d]pyrimidine.
What is the SMILES notation for 4-(2-methoxyphenyl)-6,6-dimethyl-2-(6-methyl-2-pyridinyl)-5,7-dihydropyrano[2,3-d]pyrimidine?
The canonical SMILES for 4-(2-methoxyphenyl)-6,6-dimethyl-2-(6-methyl-2-pyridinyl)-5,7-dihydropyrano[2,3-d]pyrimidine is COc1ccccc1-c1nc(-c2cccc(C)n2)nc2c1CC(C)(C)CO2.
What is the InChIKey of 4-(2-methoxyphenyl)-6,6-dimethyl-2-(6-methyl-2-pyridinyl)-5,7-dihydropyrano[2,3-d]pyrimidine?
The InChIKey is RTGUDVQZGJZPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-14-8-7-10-17(23-14)20-24-19(15-9-5-6-11-18(15)26-4)16-12-22(2,3)13-27-21(16)25-20/h5-11H,12-13H2,1-4H3.
What are the key properties of 4-(2-methoxyphenyl)-6,6-dimethyl-2-(6-methyl-2-pyridinyl)-5,7-dihydropyrano[2,3-d]pyrimidine?
4-(2-methoxyphenyl)-6,6-dimethyl-2-(6-methyl-2-pyridinyl)-5,7-dihydropyrano[2,3-d]pyrimidine has a molecular weight of 361.45 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-6,6-dimethyl-2-(6-methyl-2-pyridinyl)-5,7-dihydropyrano[2,3-d]pyrimidine is sourced from PubChem (CID 71276575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).