3-[(2-tert-butyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-methyl-1,2-oxazole

C16H22N4O — CID 24931119

IUPAC3-[(2-tert-butyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CN2CCc3cnc(C(C)(C)C)nc3C2)no1
InChIInChI=1S/C16H22N4O/c1-11-7-13(19-21-11)9-20-6-5-12-8-17-15(16(2,3)4)18-14(12)10-20/h7-8H,5-6,9-10H2,1-4H3
InChIKeyGWFURIKTTDVACD-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.63
Rot. Bonds2

About 3-[(2-tert-butyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-methyl-1,2-oxazole

3-[(2-tert-butyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-methyl-1,2-oxazole (PubChem CID 24931119) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-[(2-tert-butyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[(2-tert-butyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-methyl-1,2-oxazole
PubChem CID24931119
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name3-[(2-tert-butyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CN2CCc3cnc(C(C)(C)C)nc3C2)no1
InChIInChI=1S/C16H22N4O/c1-11-7-13(19-21-11)9-20-6-5-12-8-17-15(16(2,3)4)18-14(12)10-20/h7-8H,5-6,9-10H2,1-4H3
InChIKeyGWFURIKTTDVACD-UHFFFAOYSA-N
XLogP2.63
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[(2-tert-butyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-methyl-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2-tert-butyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[(2-tert-butyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-methyl-1,2-oxazole (CID 24931119) is 3-[(2-tert-butyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[(2-tert-butyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[(2-tert-butyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-methyl-1,2-oxazole is Cc1cc(CN2CCc3cnc(C(C)(C)C)nc3C2)no1.
What is the InChIKey of 3-[(2-tert-butyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-methyl-1,2-oxazole?
The InChIKey is GWFURIKTTDVACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11-7-13(19-21-11)9-20-6-5-12-8-17-15(16(2,3)4)18-14(12)10-20/h7-8H,5-6,9-10H2,1-4H3.
What are the key properties of 3-[(2-tert-butyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-methyl-1,2-oxazole?
3-[(2-tert-butyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-methyl-1,2-oxazole has a molecular weight of 286.38 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-tert-butyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 24931119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).