2-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine

C17H29N3O — CID 116776123

IUPAC2-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine
SMILESCCNc1nc(C2(OCC)CCCC(C)C2)nc(C)c1C
InChIInChI=1S/C17H29N3O/c1-6-18-15-13(4)14(5)19-16(20-15)17(21-7-2)10-8-9-12(3)11-17/h12H,6-11H2,1-5H3,(H,18,19,20)
InChIKeyXGYLOMHHGHSVMQ-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.97
Rot. Bonds5

About 2-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine

2-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine (PubChem CID 116776123) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine
PubChem CID116776123
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine
SMILESCCNc1nc(C2(OCC)CCCC(C)C2)nc(C)c1C
InChIInChI=1S/C17H29N3O/c1-6-18-15-13(4)14(5)19-16(20-15)17(21-7-2)10-8-9-12(3)11-17/h12H,6-11H2,1-5H3,(H,18,19,20)
InChIKeyXGYLOMHHGHSVMQ-UHFFFAOYSA-N
XLogP3.97
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-ethoxy-3-methylcyclohexyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine
CID 116777719
N-[[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 116742888
[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]hydrazine
CID 116778355
N-ethyl-5-iodo-2-(1-methoxy-3-methylcyclohexyl)pyrimidin-4-amine
CID 116777128
N-[[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
CID 116742896
4-chloro-2-(1-ethoxy-3-methylcyclohexyl)-6-propan-2-ylpyrimidine
CID 116745747
N-cyclopropyl-3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-amine
CID 116778278
3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazole-5-carbaldehyde
CID 116780451
2-(1-methoxycyclopentyl)-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 104611698
4-chloro-2-(1-ethoxy-3-methylcyclohexyl)-5-iodo-6-propan-2-ylpyrimidine
CID 116746228
1-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 116742898
N-[[2-(1-ethoxy-3-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 116777910

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine (CID 116776123) is 2-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine is CCNc1nc(C2(OCC)CCCC(C)C2)nc(C)c1C.
What is the InChIKey of 2-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine?
The InChIKey is XGYLOMHHGHSVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-6-18-15-13(4)14(5)19-16(20-15)17(21-7-2)10-8-9-12(3)11-17/h12H,6-11H2,1-5H3,(H,18,19,20).
What are the key properties of 2-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine?
2-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine has a molecular weight of 291.44 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 116776123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).