N,4-dimethyl-6-(2-methylcyclohexyl)oxypyrimidin-2-amine

C13H21N3O — CID 80859153

IUPACN,4-dimethyl-6-(2-methylcyclohexyl)oxypyrimidin-2-amine
SMILESCNc1nc(C)cc(OC2CCCCC2C)n1
InChIInChI=1S/C13H21N3O/c1-9-6-4-5-7-11(9)17-12-8-10(2)15-13(14-3)16-12/h8-9,11H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyZPHUCZIMSDNXBG-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.78
Rot. Bonds3

About N,4-dimethyl-6-(2-methylcyclohexyl)oxypyrimidin-2-amine

N,4-dimethyl-6-(2-methylcyclohexyl)oxypyrimidin-2-amine (PubChem CID 80859153) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N,4-dimethyl-6-(2-methylcyclohexyl)oxypyrimidin-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-6-(2-methylcyclohexyl)oxypyrimidin-2-amine
PubChem CID80859153
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN,4-dimethyl-6-(2-methylcyclohexyl)oxypyrimidin-2-amine
SMILESCNc1nc(C)cc(OC2CCCCC2C)n1
InChIInChI=1S/C13H21N3O/c1-9-6-4-5-7-11(9)17-12-8-10(2)15-13(14-3)16-12/h8-9,11H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyZPHUCZIMSDNXBG-UHFFFAOYSA-N
XLogP2.78
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-6-(2-methylcyclohexyl)oxypyrimidin-2-amine?
The IUPAC name of N,4-dimethyl-6-(2-methylcyclohexyl)oxypyrimidin-2-amine (CID 80859153) is N,4-dimethyl-6-(2-methylcyclohexyl)oxypyrimidin-2-amine.
What is the SMILES notation for N,4-dimethyl-6-(2-methylcyclohexyl)oxypyrimidin-2-amine?
The canonical SMILES for N,4-dimethyl-6-(2-methylcyclohexyl)oxypyrimidin-2-amine is CNc1nc(C)cc(OC2CCCCC2C)n1.
What is the InChIKey of N,4-dimethyl-6-(2-methylcyclohexyl)oxypyrimidin-2-amine?
The InChIKey is ZPHUCZIMSDNXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-6-4-5-7-11(9)17-12-8-10(2)15-13(14-3)16-12/h8-9,11H,4-7H2,1-3H3,(H,14,15,16).
What are the key properties of N,4-dimethyl-6-(2-methylcyclohexyl)oxypyrimidin-2-amine?
N,4-dimethyl-6-(2-methylcyclohexyl)oxypyrimidin-2-amine has a molecular weight of 235.33 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-6-(2-methylcyclohexyl)oxypyrimidin-2-amine is sourced from PubChem (CID 80859153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).