4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-chloropyrimidin-5-amine

C13H19ClN4 — CID 114043625

IUPAC4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-chloropyrimidin-5-amine
SMILESNc1cnc(Cl)nc1N1CCCC2CCCCC21
InChIInChI=1S/C13H19ClN4/c14-13-16-8-10(15)12(17-13)18-7-3-5-9-4-1-2-6-11(9)18/h8-9,11H,1-7,15H2
InChIKeyHDLWKZZYFXVSED-UHFFFAOYSA-N
MW266.78 g/mol
LogP2.87
Rot. Bonds1

About 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-chloropyrimidin-5-amine

4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-chloropyrimidin-5-amine (PubChem CID 114043625) has the molecular formula C13H19ClN4 and a molecular weight of 266.78 g/mol. Its IUPAC name is 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-chloropyrimidin-5-amine.

Molecular Properties

Compound Name4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-chloropyrimidin-5-amine
PubChem CID114043625
Molecular FormulaC13H19ClN4
Molecular Weight266.78 g/mol
Exact Mass266.13
IUPAC Name4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-chloropyrimidin-5-amine
SMILESNc1cnc(Cl)nc1N1CCCC2CCCCC21
InChIInChI=1S/C13H19ClN4/c14-13-16-8-10(15)12(17-13)18-7-3-5-9-4-1-2-6-11(9)18/h8-9,11H,1-7,15H2
InChIKeyHDLWKZZYFXVSED-UHFFFAOYSA-N
XLogP2.87
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.78
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-chloropyrimidin-5-amine with MolForge

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Related Compounds

4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-chloropyrimidin-5-amine
CID 114043867
1-(2-chloro-5-methylpyrimidin-4-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 79072823
4-(2-cyclopentylpyrrolidin-1-yl)pyrimidin-5-amine
CID 79916235
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-chloropyridin-3-amine
CID 82747499
4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyrimidin-5-amine
CID 63021701
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-fluoropyrimidin-2-amine
CID 80790059
(4aS,8aR)-1-(3-chloropyrazin-2-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 129413710
2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine
CID 103321337
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-bromo-4-methylpyridin-3-amine
CID 113420505
2-chloro-4-(4-cyclopropylpiperazin-1-yl)pyrimidin-5-amine
CID 114043660
2-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyridin-4-amine
CID 104918926
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-aminopyridine-3-carboxylic acid
CID 81440175

Frequently Asked Questions

What is the IUPAC name of 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-chloropyrimidin-5-amine?
The IUPAC name of 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-chloropyrimidin-5-amine (CID 114043625) is 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-chloropyrimidin-5-amine.
What is the SMILES notation for 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-chloropyrimidin-5-amine?
The canonical SMILES for 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-chloropyrimidin-5-amine is Nc1cnc(Cl)nc1N1CCCC2CCCCC21.
What is the InChIKey of 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-chloropyrimidin-5-amine?
The InChIKey is HDLWKZZYFXVSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4/c14-13-16-8-10(15)12(17-13)18-7-3-5-9-4-1-2-6-11(9)18/h8-9,11H,1-7,15H2.
What are the key properties of 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-chloropyrimidin-5-amine?
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-chloropyrimidin-5-amine has a molecular weight of 266.78 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-chloropyrimidin-5-amine is sourced from PubChem (CID 114043625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).