8-(3,3-diethylazetidin-1-yl)-2,6-dimethylpyrido[3,4-d]pyrimidine

C16H22N4 — CID 177186273

IUPAC8-(3,3-diethylazetidin-1-yl)-2,6-dimethylpyrido[3,4-d]pyrimidine
SMILESCCC1(CC)CN(c2nc(C)cc3cnc(C)nc23)C1
InChIInChI=1S/C16H22N4/c1-5-16(6-2)9-20(10-16)15-14-13(7-11(3)18-15)8-17-12(4)19-14/h7-8H,5-6,9-10H2,1-4H3
InChIKeyQCUSWZMOSSQWSL-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.27
Rot. Bonds3

About 8-(3,3-diethylazetidin-1-yl)-2,6-dimethylpyrido[3,4-d]pyrimidine

8-(3,3-diethylazetidin-1-yl)-2,6-dimethylpyrido[3,4-d]pyrimidine (PubChem CID 177186273) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 8-(3,3-diethylazetidin-1-yl)-2,6-dimethylpyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name8-(3,3-diethylazetidin-1-yl)-2,6-dimethylpyrido[3,4-d]pyrimidine
PubChem CID177186273
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name8-(3,3-diethylazetidin-1-yl)-2,6-dimethylpyrido[3,4-d]pyrimidine
SMILESCCC1(CC)CN(c2nc(C)cc3cnc(C)nc23)C1
InChIInChI=1S/C16H22N4/c1-5-16(6-2)9-20(10-16)15-14-13(7-11(3)18-15)8-17-12(4)19-14/h7-8H,5-6,9-10H2,1-4H3
InChIKeyQCUSWZMOSSQWSL-UHFFFAOYSA-N
XLogP3.27
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(3,3-diethylazetidin-1-yl)-2,6-dimethylpyrido[3,4-d]pyrimidine?
The IUPAC name of 8-(3,3-diethylazetidin-1-yl)-2,6-dimethylpyrido[3,4-d]pyrimidine (CID 177186273) is 8-(3,3-diethylazetidin-1-yl)-2,6-dimethylpyrido[3,4-d]pyrimidine.
What is the SMILES notation for 8-(3,3-diethylazetidin-1-yl)-2,6-dimethylpyrido[3,4-d]pyrimidine?
The canonical SMILES for 8-(3,3-diethylazetidin-1-yl)-2,6-dimethylpyrido[3,4-d]pyrimidine is CCC1(CC)CN(c2nc(C)cc3cnc(C)nc23)C1.
What is the InChIKey of 8-(3,3-diethylazetidin-1-yl)-2,6-dimethylpyrido[3,4-d]pyrimidine?
The InChIKey is QCUSWZMOSSQWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-5-16(6-2)9-20(10-16)15-14-13(7-11(3)18-15)8-17-12(4)19-14/h7-8H,5-6,9-10H2,1-4H3.
What are the key properties of 8-(3,3-diethylazetidin-1-yl)-2,6-dimethylpyrido[3,4-d]pyrimidine?
8-(3,3-diethylazetidin-1-yl)-2,6-dimethylpyrido[3,4-d]pyrimidine has a molecular weight of 270.38 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,3-diethylazetidin-1-yl)-2,6-dimethylpyrido[3,4-d]pyrimidine is sourced from PubChem (CID 177186273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).