5-bromo-2-chloro-N-(2-ethylcyclohexyl)pyrimidin-4-amine

C12H17BrClN3 — CID 79075996

IUPAC5-bromo-2-chloro-N-(2-ethylcyclohexyl)pyrimidin-4-amine
SMILESCCC1CCCCC1Nc1nc(Cl)ncc1Br
InChIInChI=1S/C12H17BrClN3/c1-2-8-5-3-4-6-10(8)16-11-9(13)7-15-12(14)17-11/h7-8,10H,2-6H2,1H3,(H,15,16,17)
InChIKeyRROMUBKGFGIGQP-UHFFFAOYSA-N
MW318.65 g/mol
LogP4.27
Rot. Bonds3

About 5-bromo-2-chloro-N-(2-ethylcyclohexyl)pyrimidin-4-amine

5-bromo-2-chloro-N-(2-ethylcyclohexyl)pyrimidin-4-amine (PubChem CID 79075996) has the molecular formula C12H17BrClN3 and a molecular weight of 318.65 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(2-ethylcyclohexyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(2-ethylcyclohexyl)pyrimidin-4-amine
PubChem CID79075996
Molecular FormulaC12H17BrClN3
Molecular Weight318.65 g/mol
Exact Mass317.03
IUPAC Name5-bromo-2-chloro-N-(2-ethylcyclohexyl)pyrimidin-4-amine
SMILESCCC1CCCCC1Nc1nc(Cl)ncc1Br
InChIInChI=1S/C12H17BrClN3/c1-2-8-5-3-4-6-10(8)16-11-9(13)7-15-12(14)17-11/h7-8,10H,2-6H2,1H3,(H,15,16,17)
InChIKeyRROMUBKGFGIGQP-UHFFFAOYSA-N
XLogP4.27
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.65
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-chloro-N-(2-methylcycloheptyl)pyrimidin-4-amine
CID 79074019
N-(5-bromo-2-chloropyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 79072472
cis-(1S,2R)-2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-N-methylcyclopentane-1-carboxamide
CID 59361807
3,5,6-trichloro-N-(2-ethylcyclohexyl)pyridin-2-amine
CID 102750633
[2-[(5-amino-2-chloropyrimidin-4-yl)amino]cyclohexyl]methanol
CID 114178433
(3S,4R)-4-[(5-bromo-2-chloropyrimidin-4-yl)amino]oxolan-3-ol
CID 130702874
3-[(5-bromo-2-chloropyrimidin-4-yl)amino]cyclobutan-1-ol
CID 79073506
N-(2-ethylcyclohexyl)-5-iodopyrimidin-4-amine
CID 66343239
5-bromo-2-N-ethyl-4-N-(2-methylcyclohexyl)pyrimidine-2,4-diamine
CID 80777337
5-bromo-2-chloro-N-(2-phenylcyclopropyl)pyrimidin-4-amine
CID 79072485
5-bromo-2-chloro-N-propylpyrimidin-4-amine
CID 53485997
2,6-dibromo-4-chloro-N-(2-ethylcyclopentyl)aniline
CID 114208972

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(2-ethylcyclohexyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-chloro-N-(2-ethylcyclohexyl)pyrimidin-4-amine (CID 79075996) is 5-bromo-2-chloro-N-(2-ethylcyclohexyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-chloro-N-(2-ethylcyclohexyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-chloro-N-(2-ethylcyclohexyl)pyrimidin-4-amine is CCC1CCCCC1Nc1nc(Cl)ncc1Br.
What is the InChIKey of 5-bromo-2-chloro-N-(2-ethylcyclohexyl)pyrimidin-4-amine?
The InChIKey is RROMUBKGFGIGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrClN3/c1-2-8-5-3-4-6-10(8)16-11-9(13)7-15-12(14)17-11/h7-8,10H,2-6H2,1H3,(H,15,16,17).
What are the key properties of 5-bromo-2-chloro-N-(2-ethylcyclohexyl)pyrimidin-4-amine?
5-bromo-2-chloro-N-(2-ethylcyclohexyl)pyrimidin-4-amine has a molecular weight of 318.65 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(2-ethylcyclohexyl)pyrimidin-4-amine is sourced from PubChem (CID 79075996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).