4-(4,4-dimethylcyclohexyl)oxy-N,5-dimethylpyrimidin-2-amine

C14H23N3O — CID 114342911

IUPAC4-(4,4-dimethylcyclohexyl)oxy-N,5-dimethylpyrimidin-2-amine
SMILESCNc1ncc(C)c(OC2CCC(C)(C)CC2)n1
InChIInChI=1S/C14H23N3O/c1-10-9-16-13(15-4)17-12(10)18-11-5-7-14(2,3)8-6-11/h9,11H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyNMTDSFJQWCEOBU-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.17
Rot. Bonds3

About 4-(4,4-dimethylcyclohexyl)oxy-N,5-dimethylpyrimidin-2-amine

4-(4,4-dimethylcyclohexyl)oxy-N,5-dimethylpyrimidin-2-amine (PubChem CID 114342911) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-(4,4-dimethylcyclohexyl)oxy-N,5-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4,4-dimethylcyclohexyl)oxy-N,5-dimethylpyrimidin-2-amine
PubChem CID114342911
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-(4,4-dimethylcyclohexyl)oxy-N,5-dimethylpyrimidin-2-amine
SMILESCNc1ncc(C)c(OC2CCC(C)(C)CC2)n1
InChIInChI=1S/C14H23N3O/c1-10-9-16-13(15-4)17-12(10)18-11-5-7-14(2,3)8-6-11/h9,11H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyNMTDSFJQWCEOBU-UHFFFAOYSA-N
XLogP3.17
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethylcyclohexyl)oxy-N,5-dimethylpyrimidin-2-amine?
The IUPAC name of 4-(4,4-dimethylcyclohexyl)oxy-N,5-dimethylpyrimidin-2-amine (CID 114342911) is 4-(4,4-dimethylcyclohexyl)oxy-N,5-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-(4,4-dimethylcyclohexyl)oxy-N,5-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-(4,4-dimethylcyclohexyl)oxy-N,5-dimethylpyrimidin-2-amine is CNc1ncc(C)c(OC2CCC(C)(C)CC2)n1.
What is the InChIKey of 4-(4,4-dimethylcyclohexyl)oxy-N,5-dimethylpyrimidin-2-amine?
The InChIKey is NMTDSFJQWCEOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10-9-16-13(15-4)17-12(10)18-11-5-7-14(2,3)8-6-11/h9,11H,5-8H2,1-4H3,(H,15,16,17).
What are the key properties of 4-(4,4-dimethylcyclohexyl)oxy-N,5-dimethylpyrimidin-2-amine?
4-(4,4-dimethylcyclohexyl)oxy-N,5-dimethylpyrimidin-2-amine has a molecular weight of 249.36 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethylcyclohexyl)oxy-N,5-dimethylpyrimidin-2-amine is sourced from PubChem (CID 114342911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).