4-ethoxy-N-[2-(3-methylcyclohexyl)ethyl]pyrimidin-2-amine

C15H25N3O — CID 112637806

IUPAC4-ethoxy-N-[2-(3-methylcyclohexyl)ethyl]pyrimidin-2-amine
SMILESCCOc1ccnc(NCCC2CCCC(C)C2)n1
InChIInChI=1S/C15H25N3O/c1-3-19-14-8-10-17-15(18-14)16-9-7-13-6-4-5-12(2)11-13/h8,10,12-13H,3-7,9,11H2,1-2H3,(H,16,17,18)
InChIKeyXLUCABCVKALQOE-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.50
Rot. Bonds6

About 4-ethoxy-N-[2-(3-methylcyclohexyl)ethyl]pyrimidin-2-amine

4-ethoxy-N-[2-(3-methylcyclohexyl)ethyl]pyrimidin-2-amine (PubChem CID 112637806) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-ethoxy-N-[2-(3-methylcyclohexyl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-[2-(3-methylcyclohexyl)ethyl]pyrimidin-2-amine
PubChem CID112637806
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-ethoxy-N-[2-(3-methylcyclohexyl)ethyl]pyrimidin-2-amine
SMILESCCOc1ccnc(NCCC2CCCC(C)C2)n1
InChIInChI=1S/C15H25N3O/c1-3-19-14-8-10-17-15(18-14)16-9-7-13-6-4-5-12(2)11-13/h8,10,12-13H,3-7,9,11H2,1-2H3,(H,16,17,18)
InChIKeyXLUCABCVKALQOE-UHFFFAOYSA-N
XLogP3.50
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclohexylethyl)-4-ethoxypyrimidin-2-amine
CID 112636877
4-ethoxy-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]pyrimidin-2-amine
CID 125447537
6-ethoxy-N-[2-(3-methylcyclohexyl)ethyl]pyrimidin-4-amine
CID 66329019
4-ethoxy-N-(3-ethylcyclohexyl)pyrimidin-2-amine
CID 112637934
N-[2-(3-methylcyclohexyl)ethyl]quinazolin-2-amine
CID 114789119
N-(3-cyclopentylpropyl)-4-propoxypyrimidin-2-amine
CID 106012839
N-[2-(4-methylcyclohexyl)ethyl]-4-propan-2-yloxypyrimidin-2-amine
CID 115975097
5-methyl-4-N-[2-(3-methylcyclohexyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80821828
N-[(3-aminocyclobutyl)methyl]-4-ethoxypyrimidin-2-amine
CID 112639518
N-[(2-aminocyclopentyl)methyl]-4-ethoxypyrimidin-2-amine
CID 112639496
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-[2-(3-methylcyclohexyl)ethyl]pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-N-[2-(3-methylcyclohexyl)ethyl]pyrimidin-2-amine (CID 112637806) is 4-ethoxy-N-[2-(3-methylcyclohexyl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-N-[2-(3-methylcyclohexyl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-N-[2-(3-methylcyclohexyl)ethyl]pyrimidin-2-amine is CCOc1ccnc(NCCC2CCCC(C)C2)n1.
What is the InChIKey of 4-ethoxy-N-[2-(3-methylcyclohexyl)ethyl]pyrimidin-2-amine?
The InChIKey is XLUCABCVKALQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-19-14-8-10-17-15(18-14)16-9-7-13-6-4-5-12(2)11-13/h8,10,12-13H,3-7,9,11H2,1-2H3,(H,16,17,18).
What are the key properties of 4-ethoxy-N-[2-(3-methylcyclohexyl)ethyl]pyrimidin-2-amine?
4-ethoxy-N-[2-(3-methylcyclohexyl)ethyl]pyrimidin-2-amine has a molecular weight of 263.38 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-(3-methylcyclohexyl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 112637806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).