5-ethyl-6-(4-methylcyclohexyl)oxy-N-propylpyrimidin-4-amine

C16H27N3O — CID 80858878

IUPAC5-ethyl-6-(4-methylcyclohexyl)oxy-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(OC2CCC(C)CC2)c1CC
InChIInChI=1S/C16H27N3O/c1-4-10-17-15-14(5-2)16(19-11-18-15)20-13-8-6-12(3)7-9-13/h11-13H,4-10H2,1-3H3,(H,17,18,19)
InChIKeySHUFJDWJDIHZPK-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.82
Rot. Bonds6

About 5-ethyl-6-(4-methylcyclohexyl)oxy-N-propylpyrimidin-4-amine

5-ethyl-6-(4-methylcyclohexyl)oxy-N-propylpyrimidin-4-amine (PubChem CID 80858878) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 5-ethyl-6-(4-methylcyclohexyl)oxy-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-6-(4-methylcyclohexyl)oxy-N-propylpyrimidin-4-amine
PubChem CID80858878
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name5-ethyl-6-(4-methylcyclohexyl)oxy-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(OC2CCC(C)CC2)c1CC
InChIInChI=1S/C16H27N3O/c1-4-10-17-15-14(5-2)16(19-11-18-15)20-13-8-6-12(3)7-9-13/h11-13H,4-10H2,1-3H3,(H,17,18,19)
InChIKeySHUFJDWJDIHZPK-UHFFFAOYSA-N
XLogP3.82
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-cycloheptyloxy-5-ethyl-N-propylpyrimidin-4-amine
CID 80871776
(6-cyclohexyloxy-5-ethylpyrimidin-4-yl)hydrazine
CID 80910051
6-(3,5-dimethylcyclohexyl)oxy-N-ethyl-5-propylpyrimidin-4-amine
CID 80871703
5-ethyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpyrimidin-4-amine
CID 80843048
5-methyl-6-(1-methylpiperidin-4-yl)oxy-N-propylpyrimidin-4-amine
CID 80873812
6-(oxan-4-yloxy)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80872308
5-ethyl-6-(2-methoxyethoxy)-N-propylpyrimidin-4-amine
CID 80859758
5-ethyl-6-(3-methoxycyclohexyl)oxy-N-methylpyrimidin-4-amine
CID 80876040
5-ethyl-4-N-(2-methylcyclopentyl)-6-N-propylpyrimidine-4,6-diamine
CID 80830097
5-methyl-N-propyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine
CID 80843080
5-ethyl-6-[3-(2-methoxyethoxy)propoxy]-N-propylpyrimidin-4-amine
CID 103408222
5-ethyl-6-(4-methylazepan-1-yl)-N-propylpyrimidin-4-amine
CID 80833890

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-(4-methylcyclohexyl)oxy-N-propylpyrimidin-4-amine?
The IUPAC name of 5-ethyl-6-(4-methylcyclohexyl)oxy-N-propylpyrimidin-4-amine (CID 80858878) is 5-ethyl-6-(4-methylcyclohexyl)oxy-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-6-(4-methylcyclohexyl)oxy-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-ethyl-6-(4-methylcyclohexyl)oxy-N-propylpyrimidin-4-amine is CCCNc1ncnc(OC2CCC(C)CC2)c1CC.
What is the InChIKey of 5-ethyl-6-(4-methylcyclohexyl)oxy-N-propylpyrimidin-4-amine?
The InChIKey is SHUFJDWJDIHZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-10-17-15-14(5-2)16(19-11-18-15)20-13-8-6-12(3)7-9-13/h11-13H,4-10H2,1-3H3,(H,17,18,19).
What are the key properties of 5-ethyl-6-(4-methylcyclohexyl)oxy-N-propylpyrimidin-4-amine?
5-ethyl-6-(4-methylcyclohexyl)oxy-N-propylpyrimidin-4-amine has a molecular weight of 277.41 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-(4-methylcyclohexyl)oxy-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80858878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).