4-methoxy-5-(2,2,2-trifluoroethyl)pyrimidin-2-amine

C7H8F3N3O — CID 164907832

IUPAC4-methoxy-5-(2,2,2-trifluoroethyl)pyrimidin-2-amine
SMILESCOc1nc(N)ncc1CC(F)(F)F
InChIInChI=1S/C7H8F3N3O/c1-14-5-4(2-7(8,9)10)3-12-6(11)13-5/h3H,2H2,1H3,(H2,11,12,13)
InChIKeyGDRGNSUPDZWNLI-UHFFFAOYSA-N
MW207.16 g/mol
LogP1.17
Rot. Bonds2

About 4-methoxy-5-(2,2,2-trifluoroethyl)pyrimidin-2-amine

4-methoxy-5-(2,2,2-trifluoroethyl)pyrimidin-2-amine (PubChem CID 164907832) has the molecular formula C7H8F3N3O and a molecular weight of 207.16 g/mol. Its IUPAC name is 4-methoxy-5-(2,2,2-trifluoroethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-5-(2,2,2-trifluoroethyl)pyrimidin-2-amine
PubChem CID164907832
Molecular FormulaC7H8F3N3O
Molecular Weight207.16 g/mol
Exact Mass207.06
IUPAC Name4-methoxy-5-(2,2,2-trifluoroethyl)pyrimidin-2-amine
SMILESCOc1nc(N)ncc1CC(F)(F)F
InChIInChI=1S/C7H8F3N3O/c1-14-5-4(2-7(8,9)10)3-12-6(11)13-5/h3H,2H2,1H3,(H2,11,12,13)
InChIKeyGDRGNSUPDZWNLI-UHFFFAOYSA-N
XLogP1.17
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-5-(2,2,2-trifluoroethyl)pyrimidin-2-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

2,4-Dimethoxy-5-methylpyrimidine
CID 579948
2,4-Dimethoxy-5-(nonafluorobutyl)pyrimidine
CID 125484246
5,6-Dihydrofuro[2,3-d]pyrimidin-2-amine
CID 19690783
5-Pyrimidineethanol, 2,4-dimethoxy-
CID 15450835
2-(2-Chloro-4-methoxypyrimidin-5-yl)ethanol
CID 57396090
5H-Pyrano[2,3-d]pyrimidine
CID 53439102
2-Chloro-5-(2-fluoroethyl)-4-methoxypyrimidine
CID 57396909
4-Methoxy-5-methylpyrimidine
CID 13861006
2,4-Dimethoxy-5-(3-methylbut-2-enyl)pyrimidine
CID 121222316
2,4-Dimethoxy-5-(trifluoromethyl)pyrimidine
CID 21732778
5-Fluoro-4-methoxypyrimidin-2-amine
CID 45080519
5-(2-Fluoroethyl)-2,4-dimethoxypyrimidine
CID 91619481

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
The IUPAC name of 4-methoxy-5-(2,2,2-trifluoroethyl)pyrimidin-2-amine (CID 164907832) is 4-methoxy-5-(2,2,2-trifluoroethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-5-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-5-(2,2,2-trifluoroethyl)pyrimidin-2-amine is COc1nc(N)ncc1CC(F)(F)F.
What is the InChIKey of 4-methoxy-5-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
The InChIKey is GDRGNSUPDZWNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c1-14-5-4(2-7(8,9)10)3-12-6(11)13-5/h3H,2H2,1H3,(H2,11,12,13).
What are the key properties of 4-methoxy-5-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
4-methoxy-5-(2,2,2-trifluoroethyl)pyrimidin-2-amine has a molecular weight of 207.16 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-(2,2,2-trifluoroethyl)pyrimidin-2-amine is sourced from PubChem (CID 164907832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).