N,5-dimethyl-6-(4-methylcyclohexyl)oxy-2-propan-2-ylpyrimidin-4-amine

C16H27N3O — CID 80988345

IUPACN,5-dimethyl-6-(4-methylcyclohexyl)oxy-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(C(C)C)nc(OC2CCC(C)CC2)c1C
InChIInChI=1S/C16H27N3O/c1-10(2)14-18-15(17-5)12(4)16(19-14)20-13-8-6-11(3)7-9-13/h10-11,13H,6-9H2,1-5H3,(H,17,18,19)
InChIKeyZYTFEKGFFQCGFL-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.91
Rot. Bonds4

About N,5-dimethyl-6-(4-methylcyclohexyl)oxy-2-propan-2-ylpyrimidin-4-amine

N,5-dimethyl-6-(4-methylcyclohexyl)oxy-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80988345) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N,5-dimethyl-6-(4-methylcyclohexyl)oxy-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN,5-dimethyl-6-(4-methylcyclohexyl)oxy-2-propan-2-ylpyrimidin-4-amine
PubChem CID80988345
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN,5-dimethyl-6-(4-methylcyclohexyl)oxy-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(C(C)C)nc(OC2CCC(C)CC2)c1C
InChIInChI=1S/C16H27N3O/c1-10(2)14-18-15(17-5)12(4)16(19-14)20-13-8-6-11(3)7-9-13/h10-11,13H,6-9H2,1-5H3,(H,17,18,19)
InChIKeyZYTFEKGFFQCGFL-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-methyl-6-(4-methylcyclohexyl)oxy-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81001712
6-(3-methoxycyclohexyl)oxy-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80990384
[6-(4,4-dimethylcyclohexyl)oxy-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 114343032
[5-methyl-6-(1-methylpiperidin-4-yl)oxy-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81001207
N,5-dimethyl-6-(4-methylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80981572
[6-(3-ethylcyclohexyl)oxy-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81001433
6-(4,4-dimethylcyclohexyl)oxy-N,2,5-trimethylpyrimidin-4-amine
CID 114342954
N,5-dimethyl-6-octan-2-yloxy-2-propan-2-ylpyrimidin-4-amine
CID 80988210
2-cyclopropyl-N,5-dimethyl-6-(3-methylcyclohexyl)oxypyrimidin-4-amine
CID 80989722
N,5-dimethyl-2-propan-2-yl-6-(2-propoxyethoxy)pyrimidin-4-amine
CID 80990512
[2-cyclopropyl-5-methyl-6-(4-methylcyclohexyl)oxypyrimidin-4-yl]hydrazine
CID 81001809
6-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 82736266

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-6-(4-methylcyclohexyl)oxy-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N,5-dimethyl-6-(4-methylcyclohexyl)oxy-2-propan-2-ylpyrimidin-4-amine (CID 80988345) is N,5-dimethyl-6-(4-methylcyclohexyl)oxy-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N,5-dimethyl-6-(4-methylcyclohexyl)oxy-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N,5-dimethyl-6-(4-methylcyclohexyl)oxy-2-propan-2-ylpyrimidin-4-amine is CNc1nc(C(C)C)nc(OC2CCC(C)CC2)c1C.
What is the InChIKey of N,5-dimethyl-6-(4-methylcyclohexyl)oxy-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is ZYTFEKGFFQCGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-10(2)14-18-15(17-5)12(4)16(19-14)20-13-8-6-11(3)7-9-13/h10-11,13H,6-9H2,1-5H3,(H,17,18,19).
What are the key properties of N,5-dimethyl-6-(4-methylcyclohexyl)oxy-2-propan-2-ylpyrimidin-4-amine?
N,5-dimethyl-6-(4-methylcyclohexyl)oxy-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 277.41 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-6-(4-methylcyclohexyl)oxy-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80988345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).