5-ethyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpyrimidin-4-amine

C17H27N3O — CID 80843048

IUPAC5-ethyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(OCC2CC=CCC2C)c1CC
InChIInChI=1S/C17H27N3O/c1-4-10-18-16-15(5-2)17(20-12-19-16)21-11-14-9-7-6-8-13(14)3/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,18,19,20)
InChIKeyJSRHXOXDKSIPAQ-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.84
Rot. Bonds7

About 5-ethyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpyrimidin-4-amine

5-ethyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpyrimidin-4-amine (PubChem CID 80843048) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 5-ethyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpyrimidin-4-amine
PubChem CID80843048
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name5-ethyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(OCC2CC=CCC2C)c1CC
InChIInChI=1S/C17H27N3O/c1-4-10-18-16-15(5-2)17(20-12-19-16)21-11-14-9-7-6-8-13(14)3/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,18,19,20)
InChIKeyJSRHXOXDKSIPAQ-UHFFFAOYSA-N
XLogP3.84
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-6-(4-methylcyclohexyl)oxy-N-propylpyrimidin-4-amine
CID 80858878
5-ethyl-6-(2-methoxyethoxy)-N-propylpyrimidin-4-amine
CID 80859758
6-cycloheptyloxy-5-ethyl-N-propylpyrimidin-4-amine
CID 80871776
6-(cyclopentylmethoxy)-N,5-diethylpyrimidin-4-amine
CID 80877477
5-ethyl-N-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 82794819
5-ethyl-6-[3-(2-methoxyethoxy)propoxy]-N-propylpyrimidin-4-amine
CID 103408222
5-ethyl-6-[2-(3-methoxypropoxy)ethoxy]-N-propylpyrimidin-4-amine
CID 103176402
N-[[5-chloro-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]methyl]propan-1-amine
CID 63488635
5-ethyl-4-N-(2-methylcyclopentyl)-6-N-propylpyrimidine-4,6-diamine
CID 80830097
N,5-diethyl-6-heptoxypyrimidin-4-amine
CID 80862239
6-(2-cyclopropylethoxy)-N,5-diethylpyrimidin-4-amine
CID 106207529
5-ethyl-6-(4-methylsulfanylphenoxy)-N-propylpyrimidin-4-amine
CID 80879508

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpyrimidin-4-amine?
The IUPAC name of 5-ethyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpyrimidin-4-amine (CID 80843048) is 5-ethyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-ethyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpyrimidin-4-amine is CCCNc1ncnc(OCC2CC=CCC2C)c1CC.
What is the InChIKey of 5-ethyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpyrimidin-4-amine?
The InChIKey is JSRHXOXDKSIPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-10-18-16-15(5-2)17(20-12-19-16)21-11-14-9-7-6-8-13(14)3/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,18,19,20).
What are the key properties of 5-ethyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpyrimidin-4-amine?
5-ethyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpyrimidin-4-amine has a molecular weight of 289.42 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80843048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).