4-ethoxy-N-(3-ethylcyclohexyl)pyrimidin-2-amine

C14H23N3O — CID 112637934

IUPAC4-ethoxy-N-(3-ethylcyclohexyl)pyrimidin-2-amine
SMILESCCOc1ccnc(NC2CCCC(CC)C2)n1
InChIInChI=1S/C14H23N3O/c1-3-11-6-5-7-12(10-11)16-14-15-9-8-13(17-14)18-4-2/h8-9,11-12H,3-7,10H2,1-2H3,(H,15,16,17)
InChIKeyWPSRRQOLEOTXTG-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.26
Rot. Bonds5

About 4-ethoxy-N-(3-ethylcyclohexyl)pyrimidin-2-amine

4-ethoxy-N-(3-ethylcyclohexyl)pyrimidin-2-amine (PubChem CID 112637934) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-ethoxy-N-(3-ethylcyclohexyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-(3-ethylcyclohexyl)pyrimidin-2-amine
PubChem CID112637934
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-ethoxy-N-(3-ethylcyclohexyl)pyrimidin-2-amine
SMILESCCOc1ccnc(NC2CCCC(CC)C2)n1
InChIInChI=1S/C14H23N3O/c1-3-11-6-5-7-12(10-11)16-14-15-9-8-13(17-14)18-4-2/h8-9,11-12H,3-7,10H2,1-2H3,(H,15,16,17)
InChIKeyWPSRRQOLEOTXTG-UHFFFAOYSA-N
XLogP3.26
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

N-cycloheptyl-4-ethoxypyrimidin-2-amine
CID 112636626
N-cyclopropyl-4-ethoxypyrimidin-2-amine
CID 94830398
N-(4-chlorocyclohexyl)-4-ethoxypyrimidin-2-amine
CID 112639257
3-[(4-ethoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
CID 112636158
N-(azetidin-3-yl)-4-ethoxypyrimidin-2-amine
CID 112638736
4-ethoxy-N-(2-methoxycyclopentyl)pyrimidin-2-amine
CID 112637423
4-(3-ethylcyclohexyl)oxy-N-methylpyrimidin-2-amine
CID 80876393
trans-(1S,2S)-2-N-(4-ethoxypyrimidin-2-yl)-1-N,1-N-dimethylcyclopentane-1,2-diamine
CID 146105827
4-ethoxy-N-[2-(3-methylcyclohexyl)ethyl]pyrimidin-2-amine
CID 112637806
N-(2-cyclohexylethyl)-4-ethoxypyrimidin-2-amine
CID 112636877
N-[(3-chlorocyclobutyl)methyl]-4-ethoxypyrimidin-2-amine
CID 112639324
N-[(2-chlorocyclopentyl)methyl]-4-ethoxypyrimidin-2-amine
CID 112639314

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(3-ethylcyclohexyl)pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-N-(3-ethylcyclohexyl)pyrimidin-2-amine (CID 112637934) is 4-ethoxy-N-(3-ethylcyclohexyl)pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-N-(3-ethylcyclohexyl)pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-N-(3-ethylcyclohexyl)pyrimidin-2-amine is CCOc1ccnc(NC2CCCC(CC)C2)n1.
What is the InChIKey of 4-ethoxy-N-(3-ethylcyclohexyl)pyrimidin-2-amine?
The InChIKey is WPSRRQOLEOTXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-11-6-5-7-12(10-11)16-14-15-9-8-13(17-14)18-4-2/h8-9,11-12H,3-7,10H2,1-2H3,(H,15,16,17).
What are the key properties of 4-ethoxy-N-(3-ethylcyclohexyl)pyrimidin-2-amine?
4-ethoxy-N-(3-ethylcyclohexyl)pyrimidin-2-amine has a molecular weight of 249.36 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(3-ethylcyclohexyl)pyrimidin-2-amine is sourced from PubChem (CID 112637934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).