4-(2,3-dihydro-1H-inden-5-yl)-6,7-dimethyl-2-(oxan-4-yl)pteridine

C22H24N4O — CID 166122684

IUPAC4-(2,3-dihydro-1H-inden-5-yl)-6,7-dimethyl-2-(oxan-4-yl)pteridine
SMILESCc1nc2nc(C3CCOCC3)nc(-c3ccc4c(c3)CCC4)c2nc1C
InChIInChI=1S/C22H24N4O/c1-13-14(2)24-22-20(23-13)19(18-7-6-15-4-3-5-17(15)12-18)25-21(26-22)16-8-10-27-11-9-16/h6-7,12,16H,3-5,8-11H2,1-2H3
InChIKeyOHXFDKZIAMEZLN-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.09
Rot. Bonds2

About 4-(2,3-dihydro-1H-inden-5-yl)-6,7-dimethyl-2-(oxan-4-yl)pteridine

4-(2,3-dihydro-1H-inden-5-yl)-6,7-dimethyl-2-(oxan-4-yl)pteridine (PubChem CID 166122684) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yl)-6,7-dimethyl-2-(oxan-4-yl)pteridine.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yl)-6,7-dimethyl-2-(oxan-4-yl)pteridine
PubChem CID166122684
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name4-(2,3-dihydro-1H-inden-5-yl)-6,7-dimethyl-2-(oxan-4-yl)pteridine
SMILESCc1nc2nc(C3CCOCC3)nc(-c3ccc4c(c3)CCC4)c2nc1C
InChIInChI=1S/C22H24N4O/c1-13-14(2)24-22-20(23-13)19(18-7-6-15-4-3-5-17(15)12-18)25-21(26-22)16-8-10-27-11-9-16/h6-7,12,16H,3-5,8-11H2,1-2H3
InChIKeyOHXFDKZIAMEZLN-UHFFFAOYSA-N
XLogP4.09
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-bicyclo[1.1.1]pentanyl)pyrazole;4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine
CID 166123038
4-(4-chloro-2-fluorophenyl)-2-cyclohexyl-6,7-dimethylpteridine
CID 166122261
4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine;1-(2-fluoroethyl)pyrazole
CID 166122881
1-cyclopropylpyrazole;4-(3,4-difluorocyclopentyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine
CID 166121190
(2R)-4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-6,7-dimethylpteridin-2-yl]-2-(1-cyclopropylpyrazol-4-yl)morpholine
CID 166122963
4-(2,3-dihydro-1H-inden-5-yl)-2,6-dimethylpyrimidin-5-amine
CID 82388247
4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-amine
CID 8878238
7-(2,4-difluorophenyl)-2-methyl-5-(oxan-4-yl)-[1,3]thiazolo[4,5-d]pyrimidine
CID 168887939
5-(4-methylphenyl)-2,3-dihydro-1H-indene
CID 59217485
4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1H-imidazol-2-amine
CID 82471020
4-(2-fluoro-4-methylphenyl)-6,7-dimethyl-2-[3-(oxolan-3-yl)phenyl]pteridine
CID 178120692
4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pyrido[2,3-d]pyrimidine;2-methylpyridine
CID 157044570

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)-6,7-dimethyl-2-(oxan-4-yl)pteridine?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)-6,7-dimethyl-2-(oxan-4-yl)pteridine (CID 166122684) is 4-(2,3-dihydro-1H-inden-5-yl)-6,7-dimethyl-2-(oxan-4-yl)pteridine.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yl)-6,7-dimethyl-2-(oxan-4-yl)pteridine?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yl)-6,7-dimethyl-2-(oxan-4-yl)pteridine is Cc1nc2nc(C3CCOCC3)nc(-c3ccc4c(c3)CCC4)c2nc1C.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yl)-6,7-dimethyl-2-(oxan-4-yl)pteridine?
The InChIKey is OHXFDKZIAMEZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-13-14(2)24-22-20(23-13)19(18-7-6-15-4-3-5-17(15)12-18)25-21(26-22)16-8-10-27-11-9-16/h6-7,12,16H,3-5,8-11H2,1-2H3.
What are the key properties of 4-(2,3-dihydro-1H-inden-5-yl)-6,7-dimethyl-2-(oxan-4-yl)pteridine?
4-(2,3-dihydro-1H-inden-5-yl)-6,7-dimethyl-2-(oxan-4-yl)pteridine has a molecular weight of 360.46 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-yl)-6,7-dimethyl-2-(oxan-4-yl)pteridine is sourced from PubChem (CID 166122684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).