(1R)-1-[2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methylpyrimidin-5-yl]ethanol

C17H28N2O2 — CID 103431253

IUPAC(1R)-1-[2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methylpyrimidin-5-yl]ethanol
SMILESCCOC1(c2ncc([C@@H](C)O)c(C)n2)CCC(C)(C)CC1
InChIInChI=1S/C17H28N2O2/c1-6-21-17(9-7-16(4,5)8-10-17)15-18-11-14(13(3)20)12(2)19-15/h11,13,20H,6-10H2,1-5H3/t13-/m1/s1
InChIKeySFUPQDHRPZRMRO-CYBMUJFWSA-N
MW292.42 g/mol
LogP3.67
Rot. Bonds4

About (1R)-1-[2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methylpyrimidin-5-yl]ethanol

(1R)-1-[2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methylpyrimidin-5-yl]ethanol (PubChem CID 103431253) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is (1R)-1-[2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methylpyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methylpyrimidin-5-yl]ethanol
PubChem CID103431253
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name(1R)-1-[2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methylpyrimidin-5-yl]ethanol
SMILESCCOC1(c2ncc([C@@H](C)O)c(C)n2)CCC(C)(C)CC1
InChIInChI=1S/C17H28N2O2/c1-6-21-17(9-7-16(4,5)8-10-17)15-18-11-14(13(3)20)12(2)19-15/h11,13,20H,6-10H2,1-5H3/t13-/m1/s1
InChIKeySFUPQDHRPZRMRO-CYBMUJFWSA-N
XLogP3.67
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[2-(1-methoxycyclobutyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431417
(1S)-1-[2-(1-methoxycycloheptyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431656
2-(1-ethoxy-4,4-dimethylcyclohexyl)-5-ethyl-6-methylpyrimidin-4-amine
CID 116775589
2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-methylpyrimidine-4-carbaldehyde
CID 116778389
[2-(1-ethoxy-4,4-dimethylcyclohexyl)pyrimidin-4-yl]hydrazine
CID 116777628
2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-ethyl-N-methylpyrimidin-4-amine
CID 116775938
2-(1-ethoxycyclopentyl)-4-propan-2-ylpyrimidin-5-amine
CID 114207193
2-[2-(1-ethoxycyclohexyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 116779321
4-chloro-2-(1-ethoxycyclohexyl)-5-iodopyrimidine
CID 116746306
(1R)-1-[2-(2-ethoxypropan-2-yl)-4-methylpyrimidin-5-yl]ethanol
CID 103431278
5-(bromomethyl)-4-cyclopropyl-2-(1-ethoxycyclopentyl)pyrimidine
CID 114205823
ethyl 4-amino-2-(1-ethoxycyclohexyl)pyrimidine-5-carboxylate
CID 116782888

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methylpyrimidin-5-yl]ethanol?
The IUPAC name of (1R)-1-[2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methylpyrimidin-5-yl]ethanol (CID 103431253) is (1R)-1-[2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methylpyrimidin-5-yl]ethanol.
What is the SMILES notation for (1R)-1-[2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methylpyrimidin-5-yl]ethanol?
The canonical SMILES for (1R)-1-[2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methylpyrimidin-5-yl]ethanol is CCOC1(c2ncc([C@@H](C)O)c(C)n2)CCC(C)(C)CC1.
What is the InChIKey of (1R)-1-[2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methylpyrimidin-5-yl]ethanol?
The InChIKey is SFUPQDHRPZRMRO-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-6-21-17(9-7-16(4,5)8-10-17)15-18-11-14(13(3)20)12(2)19-15/h11,13,20H,6-10H2,1-5H3/t13-/m1/s1.
What are the key properties of (1R)-1-[2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methylpyrimidin-5-yl]ethanol?
(1R)-1-[2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methylpyrimidin-5-yl]ethanol has a molecular weight of 292.42 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methylpyrimidin-5-yl]ethanol is sourced from PubChem (CID 103431253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).