6-chloro-N-(2-ethylhexyl)-5-methoxypyrimidin-4-amine

C13H22ClN3O — CID 107817622

IUPAC6-chloro-N-(2-ethylhexyl)-5-methoxypyrimidin-4-amine
SMILESCCCCC(CC)CNc1ncnc(Cl)c1OC
InChIInChI=1S/C13H22ClN3O/c1-4-6-7-10(5-2)8-15-13-11(18-3)12(14)16-9-17-13/h9-10H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyKXSWQGGWRHAQTE-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.77
Rot. Bonds8

About 6-chloro-N-(2-ethylhexyl)-5-methoxypyrimidin-4-amine

6-chloro-N-(2-ethylhexyl)-5-methoxypyrimidin-4-amine (PubChem CID 107817622) has the molecular formula C13H22ClN3O and a molecular weight of 271.79 g/mol. Its IUPAC name is 6-chloro-N-(2-ethylhexyl)-5-methoxypyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-ethylhexyl)-5-methoxypyrimidin-4-amine
PubChem CID107817622
Molecular FormulaC13H22ClN3O
Molecular Weight271.79 g/mol
Exact Mass271.15
IUPAC Name6-chloro-N-(2-ethylhexyl)-5-methoxypyrimidin-4-amine
SMILESCCCCC(CC)CNc1ncnc(Cl)c1OC
InChIInChI=1S/C13H22ClN3O/c1-4-6-7-10(5-2)8-15-13-11(18-3)12(14)16-9-17-13/h9-10H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyKXSWQGGWRHAQTE-UHFFFAOYSA-N
XLogP3.77
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-ethylhexylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136701818
5-chloro-N-(2-ethylhexyl)-2-methoxypyrimidin-4-amine
CID 107816615
5-chloro-6-ethyl-N-(2-ethylnonyl)pyrimidin-4-amine
CID 67669579
4-N-(2-ethylhexyl)quinazoline-4,7-diamine
CID 107819800
5-bromo-4-N-(2-ethylhexyl)pyrimidine-4,6-diamine
CID 114072894
5-bromo-N-(2-ethylhexyl)pyrimidin-4-amine
CID 107816515
3-[[[6-chloro-5-(methylamino)pyrimidin-4-yl]amino]methyl]pentan-1-ol
CID 133490479
4-chloro-N-(2-ethylhexyl)-2,5-dimethoxyaniline
CID 63487753
1-[(6-chloro-5-methoxypyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 106293481
6-chloro-N-(2-ethoxy-2-methylpropyl)-5-methoxypyrimidin-4-amine
CID 114943689
5-[(6-chloro-5-methoxypyrimidin-4-yl)amino]pentan-1-ol
CID 107318311
6-chloro-N-hex-1-yn-3-yl-5-methoxypyrimidin-4-amine
CID 106232820

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-ethylhexyl)-5-methoxypyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2-ethylhexyl)-5-methoxypyrimidin-4-amine (CID 107817622) is 6-chloro-N-(2-ethylhexyl)-5-methoxypyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-ethylhexyl)-5-methoxypyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2-ethylhexyl)-5-methoxypyrimidin-4-amine is CCCCC(CC)CNc1ncnc(Cl)c1OC.
What is the InChIKey of 6-chloro-N-(2-ethylhexyl)-5-methoxypyrimidin-4-amine?
The InChIKey is KXSWQGGWRHAQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O/c1-4-6-7-10(5-2)8-15-13-11(18-3)12(14)16-9-17-13/h9-10H,4-8H2,1-3H3,(H,15,16,17).
What are the key properties of 6-chloro-N-(2-ethylhexyl)-5-methoxypyrimidin-4-amine?
6-chloro-N-(2-ethylhexyl)-5-methoxypyrimidin-4-amine has a molecular weight of 271.79 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-ethylhexyl)-5-methoxypyrimidin-4-amine is sourced from PubChem (CID 107817622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).