2-cyclopropyl-N-methyl-6-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrimidin-4-amine

C14H18F3N3O — CID 154637106

IUPAC2-cyclopropyl-N-methyl-6-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrimidin-4-amine
SMILESCNc1cc(OCCC2(C(F)(F)F)CC2)nc(C2CC2)n1
InChIInChI=1S/C14H18F3N3O/c1-18-10-8-11(20-12(19-10)9-2-3-9)21-7-6-13(4-5-13)14(15,16)17/h8-9H,2-7H2,1H3,(H,18,19,20)
InChIKeyIMZWANUWXYHFKW-UHFFFAOYSA-N
MW301.31 g/mol
LogP3.51
Rot. Bonds6

About 2-cyclopropyl-N-methyl-6-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrimidin-4-amine

2-cyclopropyl-N-methyl-6-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrimidin-4-amine (PubChem CID 154637106) has the molecular formula C14H18F3N3O and a molecular weight of 301.31 g/mol. Its IUPAC name is 2-cyclopropyl-N-methyl-6-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-methyl-6-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrimidin-4-amine
PubChem CID154637106
Molecular FormulaC14H18F3N3O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC Name2-cyclopropyl-N-methyl-6-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrimidin-4-amine
SMILESCNc1cc(OCCC2(C(F)(F)F)CC2)nc(C2CC2)n1
InChIInChI=1S/C14H18F3N3O/c1-18-10-8-11(20-12(19-10)9-2-3-9)21-7-6-13(4-5-13)14(15,16)17/h8-9H,2-7H2,1H3,(H,18,19,20)
InChIKeyIMZWANUWXYHFKW-UHFFFAOYSA-N
XLogP3.51
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-methyl-6-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-methyl-6-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrimidin-4-amine (CID 154637106) is 2-cyclopropyl-N-methyl-6-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-methyl-6-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-methyl-6-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrimidin-4-amine is CNc1cc(OCCC2(C(F)(F)F)CC2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-methyl-6-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrimidin-4-amine?
The InChIKey is IMZWANUWXYHFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O/c1-18-10-8-11(20-12(19-10)9-2-3-9)21-7-6-13(4-5-13)14(15,16)17/h8-9H,2-7H2,1H3,(H,18,19,20).
What are the key properties of 2-cyclopropyl-N-methyl-6-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrimidin-4-amine?
2-cyclopropyl-N-methyl-6-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrimidin-4-amine has a molecular weight of 301.31 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-methyl-6-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrimidin-4-amine is sourced from PubChem (CID 154637106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).