5-fluoro-N-methyl-4-(3,3,5-trimethylcyclohexyl)oxypyrimidin-2-amine

C14H22FN3O — CID 80860916

IUPAC5-fluoro-N-methyl-4-(3,3,5-trimethylcyclohexyl)oxypyrimidin-2-amine
SMILESCNc1ncc(F)c(OC2CC(C)CC(C)(C)C2)n1
InChIInChI=1S/C14H22FN3O/c1-9-5-10(7-14(2,3)6-9)19-12-11(15)8-17-13(16-4)18-12/h8-10H,5-7H2,1-4H3,(H,16,17,18)
InChIKeyUGYUIXFFTWYTKW-UHFFFAOYSA-N
MW267.35 g/mol
LogP3.25
Rot. Bonds3

About 5-fluoro-N-methyl-4-(3,3,5-trimethylcyclohexyl)oxypyrimidin-2-amine

5-fluoro-N-methyl-4-(3,3,5-trimethylcyclohexyl)oxypyrimidin-2-amine (PubChem CID 80860916) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is 5-fluoro-N-methyl-4-(3,3,5-trimethylcyclohexyl)oxypyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-4-(3,3,5-trimethylcyclohexyl)oxypyrimidin-2-amine
PubChem CID80860916
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC Name5-fluoro-N-methyl-4-(3,3,5-trimethylcyclohexyl)oxypyrimidin-2-amine
SMILESCNc1ncc(F)c(OC2CC(C)CC(C)(C)C2)n1
InChIInChI=1S/C14H22FN3O/c1-9-5-10(7-14(2,3)6-9)19-12-11(15)8-17-13(16-4)18-12/h8-10H,5-7H2,1-4H3,(H,16,17,18)
InChIKeyUGYUIXFFTWYTKW-UHFFFAOYSA-N
XLogP3.25
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-methyl-4-(3,3,5-trimethylcyclohexyl)oxypyrimidin-2-yl]hydrazine
CID 80909017
5-chloro-3-fluoro-2-(3,3,5-trimethylcyclohexyl)oxypyridine
CID 79727605
4-(4,4-dimethylcyclohexyl)oxy-N,5-dimethylpyrimidin-2-amine
CID 114342911
2-chloro-5-methyl-4-(3,3,5-trimethylcyclohexyl)oxypyrimidine
CID 79076530
N-methyl-5-propan-2-yl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine
CID 80842984
2-ethyl-N,5-dimethyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine
CID 80988665
4-(3,5-dimethylphenoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 80864146
8-(3,3,5-trimethylcyclohexyl)oxyimidazo[1,2-a]pyrazin-6-amine
CID 80862063
[3,5-dichloro-6-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]hydrazine
CID 102762705
4-methyl-2-(3,3,5-trimethylcyclohexyl)oxypyrimidine-5-carboxylic acid
CID 83181126
[4-(3,3,5-trimethylcyclohexyl)oxypyrimidin-5-yl]methanol
CID 114215282
4-(cyclohexylmethoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 80879473

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-4-(3,3,5-trimethylcyclohexyl)oxypyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-methyl-4-(3,3,5-trimethylcyclohexyl)oxypyrimidin-2-amine (CID 80860916) is 5-fluoro-N-methyl-4-(3,3,5-trimethylcyclohexyl)oxypyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-methyl-4-(3,3,5-trimethylcyclohexyl)oxypyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-methyl-4-(3,3,5-trimethylcyclohexyl)oxypyrimidin-2-amine is CNc1ncc(F)c(OC2CC(C)CC(C)(C)C2)n1.
What is the InChIKey of 5-fluoro-N-methyl-4-(3,3,5-trimethylcyclohexyl)oxypyrimidin-2-amine?
The InChIKey is UGYUIXFFTWYTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-9-5-10(7-14(2,3)6-9)19-12-11(15)8-17-13(16-4)18-12/h8-10H,5-7H2,1-4H3,(H,16,17,18).
What are the key properties of 5-fluoro-N-methyl-4-(3,3,5-trimethylcyclohexyl)oxypyrimidin-2-amine?
5-fluoro-N-methyl-4-(3,3,5-trimethylcyclohexyl)oxypyrimidin-2-amine has a molecular weight of 267.35 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-4-(3,3,5-trimethylcyclohexyl)oxypyrimidin-2-amine is sourced from PubChem (CID 80860916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).