4-cycloheptyloxy-N-ethyl-5-methylpyrimidin-2-amine

C14H23N3O — CID 80871066

IUPAC4-cycloheptyloxy-N-ethyl-5-methylpyrimidin-2-amine
SMILESCCNc1ncc(C)c(OC2CCCCCC2)n1
InChIInChI=1S/C14H23N3O/c1-3-15-14-16-10-11(2)13(17-14)18-12-8-6-4-5-7-9-12/h10,12H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyAGEUJQRTONRNSP-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.32
Rot. Bonds4

About 4-cycloheptyloxy-N-ethyl-5-methylpyrimidin-2-amine

4-cycloheptyloxy-N-ethyl-5-methylpyrimidin-2-amine (PubChem CID 80871066) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-cycloheptyloxy-N-ethyl-5-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-cycloheptyloxy-N-ethyl-5-methylpyrimidin-2-amine
PubChem CID80871066
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-cycloheptyloxy-N-ethyl-5-methylpyrimidin-2-amine
SMILESCCNc1ncc(C)c(OC2CCCCCC2)n1
InChIInChI=1S/C14H23N3O/c1-3-15-14-16-10-11(2)13(17-14)18-12-8-6-4-5-7-9-12/h10,12H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyAGEUJQRTONRNSP-UHFFFAOYSA-N
XLogP3.32
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyloxy-N-ethyl-5-methylpyrimidin-2-amine?
The IUPAC name of 4-cycloheptyloxy-N-ethyl-5-methylpyrimidin-2-amine (CID 80871066) is 4-cycloheptyloxy-N-ethyl-5-methylpyrimidin-2-amine.
What is the SMILES notation for 4-cycloheptyloxy-N-ethyl-5-methylpyrimidin-2-amine?
The canonical SMILES for 4-cycloheptyloxy-N-ethyl-5-methylpyrimidin-2-amine is CCNc1ncc(C)c(OC2CCCCCC2)n1.
What is the InChIKey of 4-cycloheptyloxy-N-ethyl-5-methylpyrimidin-2-amine?
The InChIKey is AGEUJQRTONRNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-15-14-16-10-11(2)13(17-14)18-12-8-6-4-5-7-9-12/h10,12H,3-9H2,1-2H3,(H,15,16,17).
What are the key properties of 4-cycloheptyloxy-N-ethyl-5-methylpyrimidin-2-amine?
4-cycloheptyloxy-N-ethyl-5-methylpyrimidin-2-amine has a molecular weight of 249.36 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyloxy-N-ethyl-5-methylpyrimidin-2-amine is sourced from PubChem (CID 80871066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).