2-[2-(1-ethoxy-3-methylcyclohexyl)pyrimidin-5-yl]ethanamine

C15H25N3O — CID 116779223

IUPAC2-[2-(1-ethoxy-3-methylcyclohexyl)pyrimidin-5-yl]ethanamine
SMILESCCOC1(c2ncc(CCN)cn2)CCCC(C)C1
InChIInChI=1S/C15H25N3O/c1-3-19-15(7-4-5-12(2)9-15)14-17-10-13(6-8-16)11-18-14/h10-12H,3-9,16H2,1-2H3
InChIKeyNXVWEBRKVTUFFY-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.42
Rot. Bonds5

About 2-[2-(1-ethoxy-3-methylcyclohexyl)pyrimidin-5-yl]ethanamine

2-[2-(1-ethoxy-3-methylcyclohexyl)pyrimidin-5-yl]ethanamine (PubChem CID 116779223) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[2-(1-ethoxy-3-methylcyclohexyl)pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(1-ethoxy-3-methylcyclohexyl)pyrimidin-5-yl]ethanamine
PubChem CID116779223
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[2-(1-ethoxy-3-methylcyclohexyl)pyrimidin-5-yl]ethanamine
SMILESCCOC1(c2ncc(CCN)cn2)CCCC(C)C1
InChIInChI=1S/C15H25N3O/c1-3-19-15(7-4-5-12(2)9-15)14-17-10-13(6-8-16)11-18-14/h10-12H,3-9,16H2,1-2H3
InChIKeyNXVWEBRKVTUFFY-UHFFFAOYSA-N
XLogP2.42
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-1-oxaspiro[4.5]dec-3-ylpyrimidin-2-amine
CID 72873288
2-(2-methylpyrimidin-5-yl)-2-(tetrahydro-2H-pyran-4-yl)ethanamine
CID 86716357
2-Cyclohexyloxy-2-(2-methylpyrimidin-5-yl)ethanamine
CID 90219907
N-(oxan-2-ylmethyl)-5-propan-2-ylpyrimidin-2-amine
CID 170079277
5-Methyl-2-[(4-methylcyclohexyl)oxymethyl]pyrimidine
CID 53733411
2-methoxy-N-[[2-(3-methylcyclohexyl)pyrimidin-5-yl]methyl]ethanamine
CID 62755535
2-methoxy-N-[[2-(4-methylcyclohexyl)pyrimidin-5-yl]methyl]ethanamine
CID 62755712
N-[(2-cyclohexylpyrimidin-5-yl)methyl]-2-methoxyethanamine
CID 62756796
2-[2-(Propoxymethyl)pyrimidin-5-yl]ethanamine
CID 62757539
2-[2-(3-Methylcyclohexyl)pyrimidin-5-yl]ethanamine
CID 62757719
3-Methyl-1-[(pyrimidin-5-ylmethylamino)methyl]cyclohexan-1-ol
CID 63934131
2-[2-(7-Oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]ethanamine
CID 64188287

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-ethoxy-3-methylcyclohexyl)pyrimidin-5-yl]ethanamine?
The IUPAC name of 2-[2-(1-ethoxy-3-methylcyclohexyl)pyrimidin-5-yl]ethanamine (CID 116779223) is 2-[2-(1-ethoxy-3-methylcyclohexyl)pyrimidin-5-yl]ethanamine.
What is the SMILES notation for 2-[2-(1-ethoxy-3-methylcyclohexyl)pyrimidin-5-yl]ethanamine?
The canonical SMILES for 2-[2-(1-ethoxy-3-methylcyclohexyl)pyrimidin-5-yl]ethanamine is CCOC1(c2ncc(CCN)cn2)CCCC(C)C1.
What is the InChIKey of 2-[2-(1-ethoxy-3-methylcyclohexyl)pyrimidin-5-yl]ethanamine?
The InChIKey is NXVWEBRKVTUFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-19-15(7-4-5-12(2)9-15)14-17-10-13(6-8-16)11-18-14/h10-12H,3-9,16H2,1-2H3.
What are the key properties of 2-[2-(1-ethoxy-3-methylcyclohexyl)pyrimidin-5-yl]ethanamine?
2-[2-(1-ethoxy-3-methylcyclohexyl)pyrimidin-5-yl]ethanamine has a molecular weight of 263.38 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-ethoxy-3-methylcyclohexyl)pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 116779223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).