4-(3,5-dimethylcyclohexyl)oxy-5-methylpyrimidin-2-amine

C13H21N3O — CID 80878483

IUPAC4-(3,5-dimethylcyclohexyl)oxy-5-methylpyrimidin-2-amine
SMILESCc1cnc(N)nc1OC1CC(C)CC(C)C1
InChIInChI=1S/C13H21N3O/c1-8-4-9(2)6-11(5-8)17-12-10(3)7-15-13(14)16-12/h7-9,11H,4-6H2,1-3H3,(H2,14,15,16)
InChIKeyCWZFRIRRUPZAMQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.57
Rot. Bonds2

About 4-(3,5-dimethylcyclohexyl)oxy-5-methylpyrimidin-2-amine

4-(3,5-dimethylcyclohexyl)oxy-5-methylpyrimidin-2-amine (PubChem CID 80878483) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-(3,5-dimethylcyclohexyl)oxy-5-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,5-dimethylcyclohexyl)oxy-5-methylpyrimidin-2-amine
PubChem CID80878483
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-(3,5-dimethylcyclohexyl)oxy-5-methylpyrimidin-2-amine
SMILESCc1cnc(N)nc1OC1CC(C)CC(C)C1
InChIInChI=1S/C13H21N3O/c1-8-4-9(2)6-11(5-8)17-12-10(3)7-15-13(14)16-12/h7-9,11H,4-6H2,1-3H3,(H2,14,15,16)
InChIKeyCWZFRIRRUPZAMQ-UHFFFAOYSA-N
XLogP2.57
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylcyclohexyl)oxy-5-methylpyrimidin-2-amine?
The IUPAC name of 4-(3,5-dimethylcyclohexyl)oxy-5-methylpyrimidin-2-amine (CID 80878483) is 4-(3,5-dimethylcyclohexyl)oxy-5-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(3,5-dimethylcyclohexyl)oxy-5-methylpyrimidin-2-amine?
The canonical SMILES for 4-(3,5-dimethylcyclohexyl)oxy-5-methylpyrimidin-2-amine is Cc1cnc(N)nc1OC1CC(C)CC(C)C1.
What is the InChIKey of 4-(3,5-dimethylcyclohexyl)oxy-5-methylpyrimidin-2-amine?
The InChIKey is CWZFRIRRUPZAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-8-4-9(2)6-11(5-8)17-12-10(3)7-15-13(14)16-12/h7-9,11H,4-6H2,1-3H3,(H2,14,15,16).
What are the key properties of 4-(3,5-dimethylcyclohexyl)oxy-5-methylpyrimidin-2-amine?
4-(3,5-dimethylcyclohexyl)oxy-5-methylpyrimidin-2-amine has a molecular weight of 235.33 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylcyclohexyl)oxy-5-methylpyrimidin-2-amine is sourced from PubChem (CID 80878483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).