2-(1-ethoxy-4-methylcyclohexyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine

C17H29N3O — CID 116776204

IUPAC2-(1-ethoxy-4-methylcyclohexyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
SMILESCCOC1(c2nc(C)c(C(C)C)c(N)n2)CCC(C)CC1
InChIInChI=1S/C17H29N3O/c1-6-21-17(9-7-12(4)8-10-17)16-19-13(5)14(11(2)3)15(18)20-16/h11-12H,6-10H2,1-5H3,(H2,18,19,20)
InChIKeyJDWVPZLZHZOEKR-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.93
Rot. Bonds4

About 2-(1-ethoxy-4-methylcyclohexyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine

2-(1-ethoxy-4-methylcyclohexyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine (PubChem CID 116776204) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-(1-ethoxy-4-methylcyclohexyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-ethoxy-4-methylcyclohexyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
PubChem CID116776204
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-(1-ethoxy-4-methylcyclohexyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
SMILESCCOC1(c2nc(C)c(C(C)C)c(N)n2)CCC(C)CC1
InChIInChI=1S/C17H29N3O/c1-6-21-17(9-7-12(4)8-10-17)16-19-13(5)14(11(2)3)15(18)20-16/h11-12H,6-10H2,1-5H3,(H2,18,19,20)
InChIKeyJDWVPZLZHZOEKR-UHFFFAOYSA-N
XLogP3.93
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(1-ethoxy-4-methylcyclohexyl)-6-ethylpyrimidin-4-amine
CID 116776738
2-(1-methoxy-3-methylcyclohexyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 116776210
2-(1-ethoxy-4-methylcyclohexyl)-6-ethyl-5-iodopyrimidin-4-amine
CID 116776795
4-(1-ethoxy-4-methylcyclohexyl)-6-propyl-1,3,5-triazin-2-amine
CID 116781918
2-(1-ethoxy-4,4-dimethylcyclohexyl)-5-ethyl-6-methylpyrimidin-4-amine
CID 116775589
2-[2-(1-ethoxycyclohexyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 116779321
4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-6-methylpyrimidine
CID 116745680
5-bromo-2-(1-ethoxycyclohexyl)-6-propan-2-ylpyrimidin-4-amine
CID 116776851
2-(1-ethoxy-4-methylcyclohexyl)-6-propylpyrimidin-4-amine
CID 116775599
4,6-dichloro-2-(1-ethoxy-4-methylcyclohexyl)-5-propylpyrimidine
CID 116745994
3-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 116781360
N-[[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]butan-2-amine
CID 116742661

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-4-methylcyclohexyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-(1-ethoxy-4-methylcyclohexyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine (CID 116776204) is 2-(1-ethoxy-4-methylcyclohexyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(1-ethoxy-4-methylcyclohexyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-(1-ethoxy-4-methylcyclohexyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine is CCOC1(c2nc(C)c(C(C)C)c(N)n2)CCC(C)CC1.
What is the InChIKey of 2-(1-ethoxy-4-methylcyclohexyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is JDWVPZLZHZOEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-6-21-17(9-7-12(4)8-10-17)16-19-13(5)14(11(2)3)15(18)20-16/h11-12H,6-10H2,1-5H3,(H2,18,19,20).
What are the key properties of 2-(1-ethoxy-4-methylcyclohexyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine?
2-(1-ethoxy-4-methylcyclohexyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 291.44 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-4-methylcyclohexyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 116776204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).