6-(3,5-dimethylcyclohexyl)oxy-N-methyl-5-propan-2-ylpyrimidin-4-amine

C16H27N3O — CID 80878317

IUPAC6-(3,5-dimethylcyclohexyl)oxy-N-methyl-5-propan-2-ylpyrimidin-4-amine
SMILESCNc1ncnc(OC2CC(C)CC(C)C2)c1C(C)C
InChIInChI=1S/C16H27N3O/c1-10(2)14-15(17-5)18-9-19-16(14)20-13-7-11(3)6-12(4)8-13/h9-13H,6-8H2,1-5H3,(H,17,18,19)
InChIKeyAWSXWEFYCRYLCS-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.85
Rot. Bonds4

About 6-(3,5-dimethylcyclohexyl)oxy-N-methyl-5-propan-2-ylpyrimidin-4-amine

6-(3,5-dimethylcyclohexyl)oxy-N-methyl-5-propan-2-ylpyrimidin-4-amine (PubChem CID 80878317) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 6-(3,5-dimethylcyclohexyl)oxy-N-methyl-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,5-dimethylcyclohexyl)oxy-N-methyl-5-propan-2-ylpyrimidin-4-amine
PubChem CID80878317
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name6-(3,5-dimethylcyclohexyl)oxy-N-methyl-5-propan-2-ylpyrimidin-4-amine
SMILESCNc1ncnc(OC2CC(C)CC(C)C2)c1C(C)C
InChIInChI=1S/C16H27N3O/c1-10(2)14-15(17-5)18-9-19-16(14)20-13-7-11(3)6-12(4)8-13/h9-13H,6-8H2,1-5H3,(H,17,18,19)
InChIKeyAWSXWEFYCRYLCS-UHFFFAOYSA-N
XLogP3.85
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-5-propan-2-yl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine
CID 80842984
N-methyl-6-(2-methylpropoxy)-5-propan-2-ylpyrimidin-4-amine
CID 80860283
6-N-methyl-4-N-(4-methylcyclohexyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80772693
[6-(3-methoxycyclohexyl)oxy-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80925378
6-(3,5-dimethylcyclohexyl)oxy-N-ethyl-5-propylpyrimidin-4-amine
CID 80871703
4-chloro-6-(3,4-dimethylcyclohexyl)oxy-5-propan-2-ylpyrimidine
CID 64745159
6-cyclohexyloxy-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80859432
N-ethyl-6-(oxan-4-yloxy)-5-propan-2-ylpyrimidin-4-amine
CID 80872208
[6-(3-ethylcyclohexyl)oxy-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80922282
N-methyl-5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-amine
CID 80874958
6-but-3-enoxy-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80861071
4-N-(3,5-dimethylcyclohexyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80840974

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylcyclohexyl)oxy-N-methyl-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(3,5-dimethylcyclohexyl)oxy-N-methyl-5-propan-2-ylpyrimidin-4-amine (CID 80878317) is 6-(3,5-dimethylcyclohexyl)oxy-N-methyl-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,5-dimethylcyclohexyl)oxy-N-methyl-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(3,5-dimethylcyclohexyl)oxy-N-methyl-5-propan-2-ylpyrimidin-4-amine is CNc1ncnc(OC2CC(C)CC(C)C2)c1C(C)C.
What is the InChIKey of 6-(3,5-dimethylcyclohexyl)oxy-N-methyl-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is AWSXWEFYCRYLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-10(2)14-15(17-5)18-9-19-16(14)20-13-7-11(3)6-12(4)8-13/h9-13H,6-8H2,1-5H3,(H,17,18,19).
What are the key properties of 6-(3,5-dimethylcyclohexyl)oxy-N-methyl-5-propan-2-ylpyrimidin-4-amine?
6-(3,5-dimethylcyclohexyl)oxy-N-methyl-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 277.41 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylcyclohexyl)oxy-N-methyl-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80878317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).