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

C16H26N4 — CID 75423484

IUPAC3-(4,6-dimethylpyrimidin-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane
SMILESCc1cc(C)nc(N2CCC3CCC(C2)N3C(C)C)n1
InChIInChI=1S/C16H26N4/c1-11(2)20-14-5-6-15(20)10-19(8-7-14)16-17-12(3)9-13(4)18-16/h9,11,14-15H,5-8,10H2,1-4H3
InChIKeyMFYKUPHGRAESES-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.54
Rot. Bonds2

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

3-(4,6-dimethylpyrimidin-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane (PubChem CID 75423484) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-(4,6-dimethylpyrimidin-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name3-(4,6-dimethylpyrimidin-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane
PubChem CID75423484
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name3-(4,6-dimethylpyrimidin-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane
SMILESCc1cc(C)nc(N2CCC3CCC(C2)N3C(C)C)n1
InChIInChI=1S/C16H26N4/c1-11(2)20-14-5-6-15(20)10-19(8-7-14)16-17-12(3)9-13(4)18-16/h9,11,14-15H,5-8,10H2,1-4H3
InChIKeyMFYKUPHGRAESES-UHFFFAOYSA-N
XLogP2.54
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4,6-dimethylpyrimidin-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane with MolForge

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Related Compounds

3-(5-methylpyrimidin-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane
CID 133403698
(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-amine
CID 71638298
2-[4-(1-chloroethyl)piperidin-1-yl]-4,6-dimethylpyrimidine
CID 106838422
4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidine
CID 78845238
(1S,5S)-8-propan-2-yl-3-pyrimidin-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 98255752
[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]methanol
CID 62373112
3-(6-ethoxypyrimidin-4-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane
CID 133490367
2-(3-chloropiperidin-1-yl)-4,6-dimethylpyrimidine
CID 63391936
2-(3-bromopiperidin-1-yl)-4,6-dimethylpyrimidine
CID 80673034
3-methyl-5-[[(1S,6R)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]-1,2-oxazole
CID 97004937
3-methyl-4-(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)aniline
CID 170327194
3-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 115973583

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane?
The IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane (CID 75423484) is 3-(4,6-dimethylpyrimidin-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane.
What is the SMILES notation for 3-(4,6-dimethylpyrimidin-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane?
The canonical SMILES for 3-(4,6-dimethylpyrimidin-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane is Cc1cc(C)nc(N2CCC3CCC(C2)N3C(C)C)n1.
What is the InChIKey of 3-(4,6-dimethylpyrimidin-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane?
The InChIKey is MFYKUPHGRAESES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-11(2)20-14-5-6-15(20)10-19(8-7-14)16-17-12(3)9-13(4)18-16/h9,11,14-15H,5-8,10H2,1-4H3.
What are the key properties of 3-(4,6-dimethylpyrimidin-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane?
3-(4,6-dimethylpyrimidin-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane has a molecular weight of 274.41 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethylpyrimidin-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane is sourced from PubChem (CID 75423484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).