2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-methylpyrimidine-4-carbaldehyde

C16H24N2O2 — CID 116778389

IUPAC2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-methylpyrimidine-4-carbaldehyde
SMILESCCOC1(c2nc(C)cc(C=O)n2)CCC(C)(C)CC1
InChIInChI=1S/C16H24N2O2/c1-5-20-16(8-6-15(3,4)7-9-16)14-17-12(2)10-13(11-19)18-14/h10-11H,5-9H2,1-4H3
InChIKeyFMTCWYFQCSUAQN-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.43
Rot. Bonds4

About 2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-methylpyrimidine-4-carbaldehyde

2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-methylpyrimidine-4-carbaldehyde (PubChem CID 116778389) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-methylpyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-methylpyrimidine-4-carbaldehyde
PubChem CID116778389
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-methylpyrimidine-4-carbaldehyde
SMILESCCOC1(c2nc(C)cc(C=O)n2)CCC(C)(C)CC1
InChIInChI=1S/C16H24N2O2/c1-5-20-16(8-6-15(3,4)7-9-16)14-17-12(2)10-13(11-19)18-14/h10-11H,5-9H2,1-4H3
InChIKeyFMTCWYFQCSUAQN-UHFFFAOYSA-N
XLogP3.43
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methoxycycloheptyl)-6-methylpyrimidine-4-carbaldehyde
CID 116778381
2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-ethyl-N-methylpyrimidin-4-amine
CID 116775938
4-chloro-2-(1-ethoxycyclohexyl)-6-methylpyrimidine
CID 116745682
4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-6-methylpyrimidine
CID 116745680
6-methyl-2-(2-methylthiolan-2-yl)pyrimidine-4-carbaldehyde
CID 130664354
(1R)-1-[2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431253
2-(1-ethoxy-4,4-dimethylcyclohexyl)-5-ethyl-6-methylpyrimidin-4-amine
CID 116775589
2-(1-methoxy-4,4-dimethylcyclohexyl)-6-methylpyrimidine-4-carboxylic acid
CID 116778946
2-[cyclopropyl(ethoxy)methyl]-6-methylpyrimidine-4-carbaldehyde
CID 116730994
[2-(1-ethoxy-4,4-dimethylcyclohexyl)pyrimidin-4-yl]hydrazine
CID 116777628
[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1H-1,2,4-triazol-5-yl]methanamine
CID 116779554
2,6-dimethylpyrimidine-4-carbaldehyde
CID 22185220

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-methylpyrimidine-4-carbaldehyde?
The IUPAC name of 2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-methylpyrimidine-4-carbaldehyde (CID 116778389) is 2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-methylpyrimidine-4-carbaldehyde.
What is the SMILES notation for 2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-methylpyrimidine-4-carbaldehyde?
The canonical SMILES for 2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-methylpyrimidine-4-carbaldehyde is CCOC1(c2nc(C)cc(C=O)n2)CCC(C)(C)CC1.
What is the InChIKey of 2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-methylpyrimidine-4-carbaldehyde?
The InChIKey is FMTCWYFQCSUAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-5-20-16(8-6-15(3,4)7-9-16)14-17-12(2)10-13(11-19)18-14/h10-11H,5-9H2,1-4H3.
What are the key properties of 2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-methylpyrimidine-4-carbaldehyde?
2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-methylpyrimidine-4-carbaldehyde has a molecular weight of 276.38 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-methylpyrimidine-4-carbaldehyde is sourced from PubChem (CID 116778389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).