5-chloro-4-(4,4-dimethylcyclohexyl)oxy-N-propylpyrimidin-2-amine

C15H24ClN3O — CID 114342894

IUPAC5-chloro-4-(4,4-dimethylcyclohexyl)oxy-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Cl)c(OC2CCC(C)(C)CC2)n1
InChIInChI=1S/C15H24ClN3O/c1-4-9-17-14-18-10-12(16)13(19-14)20-11-5-7-15(2,3)8-6-11/h10-11H,4-9H2,1-3H3,(H,17,18,19)
InChIKeyXLVVWQBHZKGKMI-UHFFFAOYSA-N
MW297.83 g/mol
LogP4.30
Rot. Bonds5

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

5-chloro-4-(4,4-dimethylcyclohexyl)oxy-N-propylpyrimidin-2-amine (PubChem CID 114342894) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 5-chloro-4-(4,4-dimethylcyclohexyl)oxy-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(4,4-dimethylcyclohexyl)oxy-N-propylpyrimidin-2-amine
PubChem CID114342894
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name5-chloro-4-(4,4-dimethylcyclohexyl)oxy-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Cl)c(OC2CCC(C)(C)CC2)n1
InChIInChI=1S/C15H24ClN3O/c1-4-9-17-14-18-10-12(16)13(19-14)20-11-5-7-15(2,3)8-6-11/h10-11H,4-9H2,1-3H3,(H,17,18,19)
InChIKeyXLVVWQBHZKGKMI-UHFFFAOYSA-N
XLogP4.30
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-cycloheptyloxy-N-ethylpyrimidin-2-amine
CID 80870663
4-cyclobutyloxy-5-fluoro-N-propylpyrimidin-2-amine
CID 80872871
5-fluoro-4-(oxan-4-yloxy)-N-propylpyrimidin-2-amine
CID 80872902
4-cycloheptyloxy-5-fluoro-N-propylpyrimidin-2-amine
CID 80870969
5-chloro-N-propyl-4-(2,4,5-trichlorophenoxy)pyrimidin-2-amine
CID 80866668
4-(4,4-dimethylcyclohexyl)oxy-N,5-dimethylpyrimidin-2-amine
CID 114342911
5-chloro-4-pentan-2-yloxy-N-propylpyrimidin-2-amine
CID 102989311
5-chloro-4-N-cycloheptyl-2-N-propylpyrimidine-2,4-diamine
CID 80772251
4-N-(4,4-dimethylcyclohexyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80837855
5-chloro-4-(4-methylphenoxy)-N-propylpyrimidin-2-amine
CID 80863154
5-chloro-4-(4-ethoxyphenoxy)-N-propylpyrimidin-2-amine
CID 80865166
5-chloro-4-N-(1,4-dioxan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80797683

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4,4-dimethylcyclohexyl)oxy-N-propylpyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(4,4-dimethylcyclohexyl)oxy-N-propylpyrimidin-2-amine (CID 114342894) is 5-chloro-4-(4,4-dimethylcyclohexyl)oxy-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(4,4-dimethylcyclohexyl)oxy-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(4,4-dimethylcyclohexyl)oxy-N-propylpyrimidin-2-amine is CCCNc1ncc(Cl)c(OC2CCC(C)(C)CC2)n1.
What is the InChIKey of 5-chloro-4-(4,4-dimethylcyclohexyl)oxy-N-propylpyrimidin-2-amine?
The InChIKey is XLVVWQBHZKGKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-4-9-17-14-18-10-12(16)13(19-14)20-11-5-7-15(2,3)8-6-11/h10-11H,4-9H2,1-3H3,(H,17,18,19).
What are the key properties of 5-chloro-4-(4,4-dimethylcyclohexyl)oxy-N-propylpyrimidin-2-amine?
5-chloro-4-(4,4-dimethylcyclohexyl)oxy-N-propylpyrimidin-2-amine has a molecular weight of 297.83 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4,4-dimethylcyclohexyl)oxy-N-propylpyrimidin-2-amine is sourced from PubChem (CID 114342894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).