N-(6-chloro-5-propylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine

C14H21ClN4 — CID 55229488

IUPACN-(6-chloro-5-propylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCCCc1c(Cl)ncnc1NC1CN2CCC1CC2
InChIInChI=1S/C14H21ClN4/c1-2-3-11-13(15)16-9-17-14(11)18-12-8-19-6-4-10(12)5-7-19/h9-10,12H,2-8H2,1H3,(H,16,17,18)
InChIKeyGIGPMOYXLNYWQD-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.59
Rot. Bonds4

About N-(6-chloro-5-propylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine

N-(6-chloro-5-propylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 55229488) has the molecular formula C14H21ClN4 and a molecular weight of 280.80 g/mol. Its IUPAC name is N-(6-chloro-5-propylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-(6-chloro-5-propylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID55229488
Molecular FormulaC14H21ClN4
Molecular Weight280.80 g/mol
Exact Mass280.15
IUPAC NameN-(6-chloro-5-propylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCCCc1c(Cl)ncnc1NC1CN2CCC1CC2
InChIInChI=1S/C14H21ClN4/c1-2-3-11-13(15)16-9-17-14(11)18-12-8-19-6-4-10(12)5-7-19/h9-10,12H,2-8H2,1H3,(H,16,17,18)
InChIKeyGIGPMOYXLNYWQD-UHFFFAOYSA-N
XLogP2.59
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80777662
6-chloro-N-(3-methylsulfanylcyclohexyl)-5-propylpyrimidin-4-amine
CID 114123758
6-chloro-N-(3-methylsulfanylcyclopentyl)-5-propylpyrimidin-4-amine
CID 114123827
6-chloro-N-(2,2-dimethyloxan-4-yl)-5-propylpyrimidin-4-amine
CID 83028527
N-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-5-propylpyrimidin-4-amine
CID 63729897
6-chloro-N-cyclopropyl-5-ethylpyrimidin-4-amine
CID 63734410
6-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-propylpyrimidin-4-amine
CID 63728697
N-(2-propylphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43687475
4-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80981730
2-[(6-chloro-5-propylpyrimidin-4-yl)amino]ethanol
CID 63736464
4-N-(1,3-dimethylpiperidin-4-yl)-5-propylpyrimidine-4,6-diamine
CID 114506446
6-chloro-5-ethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 63729756

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-5-propylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-(6-chloro-5-propylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine (CID 55229488) is N-(6-chloro-5-propylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-(6-chloro-5-propylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-(6-chloro-5-propylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine is CCCc1c(Cl)ncnc1NC1CN2CCC1CC2.
What is the InChIKey of N-(6-chloro-5-propylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is GIGPMOYXLNYWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4/c1-2-3-11-13(15)16-9-17-14(11)18-12-8-19-6-4-10(12)5-7-19/h9-10,12H,2-8H2,1H3,(H,16,17,18).
What are the key properties of N-(6-chloro-5-propylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine?
N-(6-chloro-5-propylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 280.80 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-5-propylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 55229488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).