2,5-dimethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidin-4-amine

C16H27N3O — CID 80860237

IUPAC2,5-dimethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidin-4-amine
SMILESCc1nc(N)c(C)c(OC2CC(C)CCC2C(C)C)n1
InChIInChI=1S/C16H27N3O/c1-9(2)13-7-6-10(3)8-14(13)20-16-11(4)15(17)18-12(5)19-16/h9-10,13-14H,6-8H2,1-5H3,(H2,17,18,19)
InChIKeyYPCRNCIALQDYRV-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.52
Rot. Bonds3

About 2,5-dimethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidin-4-amine

2,5-dimethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidin-4-amine (PubChem CID 80860237) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2,5-dimethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dimethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidin-4-amine
PubChem CID80860237
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2,5-dimethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidin-4-amine
SMILESCc1nc(N)c(C)c(OC2CC(C)CCC2C(C)C)n1
InChIInChI=1S/C16H27N3O/c1-9(2)13-7-6-10(3)8-14(13)20-16-11(4)15(17)18-12(5)19-16/h9-10,13-14H,6-8H2,1-5H3,(H2,17,18,19)
InChIKeyYPCRNCIALQDYRV-UHFFFAOYSA-N
XLogP3.52
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine-2,3-diamine
CID 79827219
5-amino-6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine-2-carboxylic acid
CID 114408588
1-[5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-pyridinyl]ethanamine
CID 83127834
3-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline
CID 80752408
2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanethiol
CID 131866620
bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanedioate
CID 101364051
(1S,2R,4R)-4-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-propan-2-ylcyclohexane
CID 142760387
4-methyl-1-propan-2-yl-2-propoxycyclohexane
CID 54499043
methyl-tris[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]silane
CID 101270451
trimethyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxysilane
CID 11138915
6-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine-4-carbothioamide
CID 107548365
6-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-nitropyridine
CID 43330212

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidin-4-amine?
The IUPAC name of 2,5-dimethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidin-4-amine (CID 80860237) is 2,5-dimethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidin-4-amine.
What is the SMILES notation for 2,5-dimethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidin-4-amine?
The canonical SMILES for 2,5-dimethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidin-4-amine is Cc1nc(N)c(C)c(OC2CC(C)CCC2C(C)C)n1.
What is the InChIKey of 2,5-dimethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidin-4-amine?
The InChIKey is YPCRNCIALQDYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-9(2)13-7-6-10(3)8-14(13)20-16-11(4)15(17)18-12(5)19-16/h9-10,13-14H,6-8H2,1-5H3,(H2,17,18,19).
What are the key properties of 2,5-dimethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidin-4-amine?
2,5-dimethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidin-4-amine has a molecular weight of 277.41 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidin-4-amine is sourced from PubChem (CID 80860237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).