3-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-3,9-diazabicyclo[4.2.1]nonane

C15H24N4O — CID 115973583

IUPAC3-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-3,9-diazabicyclo[4.2.1]nonane
SMILESCc1cc(OC(C)C)nc(N2CCC3CCC(C2)N3)n1
InChIInChI=1S/C15H24N4O/c1-10(2)20-14-8-11(3)16-15(18-14)19-7-6-12-4-5-13(9-19)17-12/h8,10,12-13,17H,4-7,9H2,1-3H3
InChIKeyDMZVACIRXGGZKD-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.90
Rot. Bonds3

About 3-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-3,9-diazabicyclo[4.2.1]nonane

3-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-3,9-diazabicyclo[4.2.1]nonane (PubChem CID 115973583) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-3,9-diazabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name3-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-3,9-diazabicyclo[4.2.1]nonane
PubChem CID115973583
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name3-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-3,9-diazabicyclo[4.2.1]nonane
SMILESCc1cc(OC(C)C)nc(N2CCC3CCC(C2)N3)n1
InChIInChI=1S/C15H24N4O/c1-10(2)20-14-8-11(3)16-15(18-14)19-7-6-12-4-5-13(9-19)17-12/h8,10,12-13,17H,4-7,9H2,1-3H3
InChIKeyDMZVACIRXGGZKD-UHFFFAOYSA-N
XLogP1.90
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-3,9-diazabicyclo[4.2.1]nonane?
The IUPAC name of 3-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-3,9-diazabicyclo[4.2.1]nonane (CID 115973583) is 3-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-3,9-diazabicyclo[4.2.1]nonane.
What is the SMILES notation for 3-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-3,9-diazabicyclo[4.2.1]nonane?
The canonical SMILES for 3-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-3,9-diazabicyclo[4.2.1]nonane is Cc1cc(OC(C)C)nc(N2CCC3CCC(C2)N3)n1.
What is the InChIKey of 3-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-3,9-diazabicyclo[4.2.1]nonane?
The InChIKey is DMZVACIRXGGZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-10(2)20-14-8-11(3)16-15(18-14)19-7-6-12-4-5-13(9-19)17-12/h8,10,12-13,17H,4-7,9H2,1-3H3.
What are the key properties of 3-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-3,9-diazabicyclo[4.2.1]nonane?
3-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-3,9-diazabicyclo[4.2.1]nonane has a molecular weight of 276.38 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-3,9-diazabicyclo[4.2.1]nonane is sourced from PubChem (CID 115973583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).