2-cyclopropyl-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine

C10H12F3N3O — CID 80989298

IUPAC2-cyclopropyl-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
SMILESCc1c(N)nc(C2CC2)nc1OCC(F)(F)F
InChIInChI=1S/C10H12F3N3O/c1-5-7(14)15-8(6-2-3-6)16-9(5)17-4-10(11,12)13/h6H,2-4H2,1H3,(H2,14,15,16)
InChIKeyVADAONCWRYRYTI-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.19
Rot. Bonds3

About 2-cyclopropyl-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine

2-cyclopropyl-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine (PubChem CID 80989298) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 2-cyclopropyl-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
PubChem CID80989298
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name2-cyclopropyl-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
SMILESCc1c(N)nc(C2CC2)nc1OCC(F)(F)F
InChIInChI=1S/C10H12F3N3O/c1-5-7(14)15-8(6-2-3-6)16-9(5)17-4-10(11,12)13/h6H,2-4H2,1H3,(H2,14,15,16)
InChIKeyVADAONCWRYRYTI-UHFFFAOYSA-N
XLogP2.19
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)oxypropan-1-ol
CID 80988848
2-cyclopropyl-6-(2-ethoxyethoxy)-5-methylpyrimidin-4-amine
CID 80989181
2-cyclopropyl-6-[2-(2-methoxyethoxy)ethoxy]-5-methylpyrimidin-4-amine
CID 104568199
6-(cyclohexylmethoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80991242
2-cyclopropyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-amine
CID 103408390
4-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,3,5-triamine
CID 174994560
2-cyclopropyl-6-(4-ethylphenoxy)-5-methylpyrimidin-4-amine
CID 80989231
[4-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyphenyl]methanol
CID 80990139
2-cyclopropyl-6-(2,3-difluorophenoxy)-5-methylpyrimidin-4-amine
CID 80989930
2-cyclopropyl-6-(3-fluorophenoxy)-5-methylpyrimidin-4-amine
CID 80988620
6-(4-chloro-2,6-dimethylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80988356
2-cyclopropyl-6-(2,5-dimethylphenoxy)-5-methylpyrimidin-4-amine
CID 80988869

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine (CID 80989298) is 2-cyclopropyl-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine is Cc1c(N)nc(C2CC2)nc1OCC(F)(F)F.
What is the InChIKey of 2-cyclopropyl-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The InChIKey is VADAONCWRYRYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c1-5-7(14)15-8(6-2-3-6)16-9(5)17-4-10(11,12)13/h6H,2-4H2,1H3,(H2,14,15,16).
What are the key properties of 2-cyclopropyl-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
2-cyclopropyl-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine has a molecular weight of 247.22 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine is sourced from PubChem (CID 80989298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).