4-cycloheptyloxy-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine

C14H20F3N3O — CID 114566411

IUPAC4-cycloheptyloxy-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCNc1nc(OC2CCCCCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C14H20F3N3O/c1-2-18-13-19-11(14(15,16)17)9-12(20-13)21-10-7-5-3-4-6-8-10/h9-10H,2-8H2,1H3,(H,18,19,20)
InChIKeyOLOXTGLYMHCPQV-UHFFFAOYSA-N
MW303.33 g/mol
LogP4.03
Rot. Bonds4

About 4-cycloheptyloxy-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine

4-cycloheptyloxy-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114566411) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is 4-cycloheptyloxy-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-cycloheptyloxy-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114566411
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC Name4-cycloheptyloxy-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCNc1nc(OC2CCCCCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C14H20F3N3O/c1-2-18-13-19-11(14(15,16)17)9-12(20-13)21-10-7-5-3-4-6-8-10/h9-10H,2-8H2,1H3,(H,18,19,20)
InChIKeyOLOXTGLYMHCPQV-UHFFFAOYSA-N
XLogP4.03
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 54.03
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-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-cycloheptyloxy-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 114566411) is 4-cycloheptyloxy-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-cycloheptyloxy-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-cycloheptyloxy-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine is CCNc1nc(OC2CCCCCC2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-cycloheptyloxy-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is OLOXTGLYMHCPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-2-18-13-19-11(14(15,16)17)9-12(20-13)21-10-7-5-3-4-6-8-10/h9-10H,2-8H2,1H3,(H,18,19,20).
What are the key properties of 4-cycloheptyloxy-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine?
4-cycloheptyloxy-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 303.33 g/mol, XLogP of 4.03, 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-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114566411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).