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

C10H14F3N3O — CID 80988229

IUPAC5-methyl-2-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
SMILESCCCc1nc(N)c(C)c(OCC(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O/c1-3-4-7-15-8(14)6(2)9(16-7)17-5-10(11,12)13/h3-5H2,1-2H3,(H2,14,15,16)
InChIKeyYMDOZNDMVRIVRX-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.26
Rot. Bonds4

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

5-methyl-2-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine (PubChem CID 80988229) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 5-methyl-2-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-2-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
PubChem CID80988229
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name5-methyl-2-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
SMILESCCCc1nc(N)c(C)c(OCC(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O/c1-3-4-7-15-8(14)6(2)9(16-7)17-5-10(11,12)13/h3-5H2,1-2H3,(H2,14,15,16)
InChIKeyYMDOZNDMVRIVRX-UHFFFAOYSA-N
XLogP2.26
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-2-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Fluoro-6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidine
CID 13379302
2,4-Diethoxy-5,6-difluoropyrimidine
CID 134912746
4-Amino-6-(2-hydroxyethoxy)-2-methylpyrimidine-5-carbonitrile
CID 129933461
4,6-Diethoxy-2,5-dimethylpyrimidine
CID 60096147
6-Methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine
CID 13379306
4-Hydrazino-6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidine
CID 18544800
5-Bromo-2-cyclopropyl-4-methoxy-6-(2,2,2-trifluoroethoxy)pyrimidine
CID 69745389
5-Bromo-2-cyclopropyl-4-(2,2-difluoroethoxy)-6-methoxypyrimidine
CID 87977665
6-(2,2-Difluoropropoxy)-5-fluoropyrimidin-4-amine
CID 123161731
4,6-Diethoxy-2-fluoro-5-methylpyrimidine
CID 129239001
4-(Difluoromethoxy)-6-methoxy-5-methylpyrimidin-2-amine
CID 164907843
N,2-dimethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine;hydrochloride
CID 175464510

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The IUPAC name of 5-methyl-2-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine (CID 80988229) is 5-methyl-2-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-2-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The canonical SMILES for 5-methyl-2-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine is CCCc1nc(N)c(C)c(OCC(F)(F)F)n1.
What is the InChIKey of 5-methyl-2-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The InChIKey is YMDOZNDMVRIVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-3-4-7-15-8(14)6(2)9(16-7)17-5-10(11,12)13/h3-5H2,1-2H3,(H2,14,15,16).
What are the key properties of 5-methyl-2-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
5-methyl-2-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine has a molecular weight of 249.24 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine is sourced from PubChem (CID 80988229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).