3-propan-2-yl-8-pyrimidin-2-yl-3,8-diazabicyclo[3.2.1]octane

C13H20N4 — CID 134380019

IUPAC3-propan-2-yl-8-pyrimidin-2-yl-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)N1CC2CCC(C1)N2c1ncccn1
InChIInChI=1S/C13H20N4/c1-10(2)16-8-11-4-5-12(9-16)17(11)13-14-6-3-7-15-13/h3,6-7,10-12H,4-5,8-9H2,1-2H3
InChIKeyKYBWGOMETMCIBE-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.54
Rot. Bonds2

About 3-propan-2-yl-8-pyrimidin-2-yl-3,8-diazabicyclo[3.2.1]octane

3-propan-2-yl-8-pyrimidin-2-yl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 134380019) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-propan-2-yl-8-pyrimidin-2-yl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-propan-2-yl-8-pyrimidin-2-yl-3,8-diazabicyclo[3.2.1]octane
PubChem CID134380019
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name3-propan-2-yl-8-pyrimidin-2-yl-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)N1CC2CCC(C1)N2c1ncccn1
InChIInChI=1S/C13H20N4/c1-10(2)16-8-11-4-5-12(9-16)17(11)13-14-6-3-7-15-13/h3,6-7,10-12H,4-5,8-9H2,1-2H3
InChIKeyKYBWGOMETMCIBE-UHFFFAOYSA-N
XLogP1.54
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(4-methylpyrimidin-2-yl)-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 155740008
(1S,5S)-8-propan-2-yl-3-pyrimidin-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 98255752
3-propan-2-yl-8-(pyridin-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octane
CID 67986727
8-[5-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyrimidin-2-yl]-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 167109879
1-[2-methyl-4-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]cyclohexyl]ethanone
CID 167109902
4-[4-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]piperidin-1-yl]butan-1-ol
CID 155739825
1-[3-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]propan-2-one
CID 155740902
3-propan-2-yl-6-(pyrimidin-2-ylmethyl)-3,6-diazabicyclo[3.1.1]heptane
CID 134507405
8-[5-(cyclohexen-1-yl)pyrimidin-2-yl]-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;2-methylpropanal
CID 155740614
N-pentyl-2-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]acetamide
CID 163400809
N-methyl-N-propan-2-yl-5-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]pent-4-yn-1-amine
CID 155740029
1-[4-[4-methyl-2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]cyclohexyl]ethanone
CID 155741253

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-8-pyrimidin-2-yl-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 3-propan-2-yl-8-pyrimidin-2-yl-3,8-diazabicyclo[3.2.1]octane (CID 134380019) is 3-propan-2-yl-8-pyrimidin-2-yl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 3-propan-2-yl-8-pyrimidin-2-yl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 3-propan-2-yl-8-pyrimidin-2-yl-3,8-diazabicyclo[3.2.1]octane is CC(C)N1CC2CCC(C1)N2c1ncccn1.
What is the InChIKey of 3-propan-2-yl-8-pyrimidin-2-yl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is KYBWGOMETMCIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-10(2)16-8-11-4-5-12(9-16)17(11)13-14-6-3-7-15-13/h3,6-7,10-12H,4-5,8-9H2,1-2H3.
What are the key properties of 3-propan-2-yl-8-pyrimidin-2-yl-3,8-diazabicyclo[3.2.1]octane?
3-propan-2-yl-8-pyrimidin-2-yl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 232.33 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-8-pyrimidin-2-yl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 134380019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).