N-ethyl-6-(3-methylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-amine

C14H20F3N3O — CID 106773659

IUPACN-ethyl-6-(3-methylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCNc1cc(OC2CCCC(C)C2)nc(C(F)(F)F)n1
InChIInChI=1S/C14H20F3N3O/c1-3-18-11-8-12(20-13(19-11)14(15,16)17)21-10-6-4-5-9(2)7-10/h8-10H,3-7H2,1-2H3,(H,18,19,20)
InChIKeyYNSHCLGMULGYLH-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.88
Rot. Bonds4

About N-ethyl-6-(3-methylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-amine

N-ethyl-6-(3-methylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106773659) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is N-ethyl-6-(3-methylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(3-methylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106773659
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC NameN-ethyl-6-(3-methylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCNc1cc(OC2CCCC(C)C2)nc(C(F)(F)F)n1
InChIInChI=1S/C14H20F3N3O/c1-3-18-11-8-12(20-13(19-11)14(15,16)17)21-10-6-4-5-9(2)7-10/h8-10H,3-7H2,1-2H3,(H,18,19,20)
InChIKeyYNSHCLGMULGYLH-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(3-methylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(3-methylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-amine (CID 106773659) is N-ethyl-6-(3-methylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(3-methylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(3-methylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-amine is CCNc1cc(OC2CCCC(C)C2)nc(C(F)(F)F)n1.
What is the InChIKey of N-ethyl-6-(3-methylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is YNSHCLGMULGYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-3-18-11-8-12(20-13(19-11)14(15,16)17)21-10-6-4-5-9(2)7-10/h8-10H,3-7H2,1-2H3,(H,18,19,20).
What are the key properties of N-ethyl-6-(3-methylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-amine?
N-ethyl-6-(3-methylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 303.33 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(3-methylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106773659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).