N-(2-cyclohexylethyl)-4-ethoxypyrimidin-2-amine

C14H23N3O — CID 112636877

IUPACN-(2-cyclohexylethyl)-4-ethoxypyrimidin-2-amine
SMILESCCOc1ccnc(NCCC2CCCCC2)n1
InChIInChI=1S/C14H23N3O/c1-2-18-13-9-11-16-14(17-13)15-10-8-12-6-4-3-5-7-12/h9,11-12H,2-8,10H2,1H3,(H,15,16,17)
InChIKeyFOKJTGSAFUHWBF-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.26
Rot. Bonds6

About N-(2-cyclohexylethyl)-4-ethoxypyrimidin-2-amine

N-(2-cyclohexylethyl)-4-ethoxypyrimidin-2-amine (PubChem CID 112636877) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-4-ethoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-4-ethoxypyrimidin-2-amine
PubChem CID112636877
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-(2-cyclohexylethyl)-4-ethoxypyrimidin-2-amine
SMILESCCOc1ccnc(NCCC2CCCCC2)n1
InChIInChI=1S/C14H23N3O/c1-2-18-13-9-11-16-14(17-13)15-10-8-12-6-4-3-5-7-12/h9,11-12H,2-8,10H2,1H3,(H,15,16,17)
InChIKeyFOKJTGSAFUHWBF-UHFFFAOYSA-N
XLogP3.26
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-[2-(3-methylcyclohexyl)ethyl]pyrimidin-2-amine
CID 112637806
4-ethoxy-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]pyrimidin-2-amine
CID 125447537
N-(3-cyclopentylpropyl)-4-propoxypyrimidin-2-amine
CID 106012839
N-cycloheptyl-4-ethoxypyrimidin-2-amine
CID 112636626
N-[2-(azepan-1-yl)ethyl]-4-ethoxypyrimidin-2-amine
CID 112637065
4-cycloheptyloxy-N-propylpyrimidin-2-amine
CID 80871966
N-[3-(4-aminocyclohexyl)oxypropyl]-4-ethoxypyrimidin-2-amine
CID 115975401
4-ethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidin-2-amine
CID 115974404
N-[2-(4-methylcyclohexyl)ethyl]-4-propan-2-yloxypyrimidin-2-amine
CID 115975097
N-(cyclopentylmethyl)-4-methoxypyrimidin-2-amine
CID 112684482
N-[(3-aminocyclobutyl)methyl]-4-ethoxypyrimidin-2-amine
CID 112639518
N-cyclopropyl-4-ethoxypyrimidin-2-amine
CID 94830398

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-4-ethoxypyrimidin-2-amine?
The IUPAC name of N-(2-cyclohexylethyl)-4-ethoxypyrimidin-2-amine (CID 112636877) is N-(2-cyclohexylethyl)-4-ethoxypyrimidin-2-amine.
What is the SMILES notation for N-(2-cyclohexylethyl)-4-ethoxypyrimidin-2-amine?
The canonical SMILES for N-(2-cyclohexylethyl)-4-ethoxypyrimidin-2-amine is CCOc1ccnc(NCCC2CCCCC2)n1.
What is the InChIKey of N-(2-cyclohexylethyl)-4-ethoxypyrimidin-2-amine?
The InChIKey is FOKJTGSAFUHWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-18-13-9-11-16-14(17-13)15-10-8-12-6-4-3-5-7-12/h9,11-12H,2-8,10H2,1H3,(H,15,16,17).
What are the key properties of N-(2-cyclohexylethyl)-4-ethoxypyrimidin-2-amine?
N-(2-cyclohexylethyl)-4-ethoxypyrimidin-2-amine has a molecular weight of 249.36 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-4-ethoxypyrimidin-2-amine is sourced from PubChem (CID 112636877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).