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

C15H23ClN4 — CID 80945238

IUPAC3-(6-chloro-2-propylpyrimidin-4-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane
SMILESCCCc1nc(Cl)cc(N2CCC3CCC(C2)N3C)n1
InChIInChI=1S/C15H23ClN4/c1-3-4-14-17-13(16)9-15(18-14)20-8-7-11-5-6-12(10-20)19(11)2/h9,11-12H,3-8,10H2,1-2H3
InChIKeyRIAVCKXCAUYBRL-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.76
Rot. Bonds3

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

3-(6-chloro-2-propylpyrimidin-4-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane (PubChem CID 80945238) has the molecular formula C15H23ClN4 and a molecular weight of 294.83 g/mol. Its IUPAC name is 3-(6-chloro-2-propylpyrimidin-4-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name3-(6-chloro-2-propylpyrimidin-4-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane
PubChem CID80945238
Molecular FormulaC15H23ClN4
Molecular Weight294.83 g/mol
Exact Mass294.16
IUPAC Name3-(6-chloro-2-propylpyrimidin-4-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane
SMILESCCCc1nc(Cl)cc(N2CCC3CCC(C2)N3C)n1
InChIInChI=1S/C15H23ClN4/c1-3-4-14-17-13(16)9-15(18-14)20-8-7-11-5-6-12(10-20)19(11)2/h9,11-12H,3-8,10H2,1-2H3
InChIKeyRIAVCKXCAUYBRL-UHFFFAOYSA-N
XLogP2.76
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-2-propylpyrimidin-4-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane?
The IUPAC name of 3-(6-chloro-2-propylpyrimidin-4-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane (CID 80945238) is 3-(6-chloro-2-propylpyrimidin-4-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane.
What is the SMILES notation for 3-(6-chloro-2-propylpyrimidin-4-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane?
The canonical SMILES for 3-(6-chloro-2-propylpyrimidin-4-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane is CCCc1nc(Cl)cc(N2CCC3CCC(C2)N3C)n1.
What is the InChIKey of 3-(6-chloro-2-propylpyrimidin-4-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane?
The InChIKey is RIAVCKXCAUYBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4/c1-3-4-14-17-13(16)9-15(18-14)20-8-7-11-5-6-12(10-20)19(11)2/h9,11-12H,3-8,10H2,1-2H3.
What are the key properties of 3-(6-chloro-2-propylpyrimidin-4-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane?
3-(6-chloro-2-propylpyrimidin-4-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane has a molecular weight of 294.83 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-2-propylpyrimidin-4-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane is sourced from PubChem (CID 80945238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).