3-(5-methylpyrimidin-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane

C15H24N4 — CID 133403698

IUPAC3-(5-methylpyrimidin-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane
SMILESCc1cnc(N2CCC3CCC(C2)N3C(C)C)nc1
InChIInChI=1S/C15H24N4/c1-11(2)19-13-4-5-14(19)10-18(7-6-13)15-16-8-12(3)9-17-15/h8-9,11,13-14H,4-7,10H2,1-3H3
InChIKeyOTOUQDPJIUZZIG-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.24
Rot. Bonds2

About 3-(5-methylpyrimidin-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane

3-(5-methylpyrimidin-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane (PubChem CID 133403698) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-(5-methylpyrimidin-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name3-(5-methylpyrimidin-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane
PubChem CID133403698
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name3-(5-methylpyrimidin-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane
SMILESCc1cnc(N2CCC3CCC(C2)N3C(C)C)nc1
InChIInChI=1S/C15H24N4/c1-11(2)19-13-4-5-14(19)10-18(7-6-13)15-16-8-12(3)9-17-15/h8-9,11,13-14H,4-7,10H2,1-3H3
InChIKeyOTOUQDPJIUZZIG-UHFFFAOYSA-N
XLogP2.24
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methylpyrimidin-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane?
The IUPAC name of 3-(5-methylpyrimidin-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane (CID 133403698) is 3-(5-methylpyrimidin-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane.
What is the SMILES notation for 3-(5-methylpyrimidin-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane?
The canonical SMILES for 3-(5-methylpyrimidin-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane is Cc1cnc(N2CCC3CCC(C2)N3C(C)C)nc1.
What is the InChIKey of 3-(5-methylpyrimidin-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane?
The InChIKey is OTOUQDPJIUZZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-11(2)19-13-4-5-14(19)10-18(7-6-13)15-16-8-12(3)9-17-15/h8-9,11,13-14H,4-7,10H2,1-3H3.
What are the key properties of 3-(5-methylpyrimidin-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane?
3-(5-methylpyrimidin-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane has a molecular weight of 260.38 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylpyrimidin-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane is sourced from PubChem (CID 133403698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).