2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine

C6H7F3N4 — CID 116795439

IUPAC2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
SMILESNc1ccnc(NCC(F)(F)F)n1
InChIInChI=1S/C6H7F3N4/c7-6(8,9)3-12-5-11-2-1-4(10)13-5/h1-2H,3H2,(H3,10,11,12,13)
InChIKeyUYJNCBYQSYMUKF-UHFFFAOYSA-N
MW192.14 g/mol
LogP1.03
Rot. Bonds2

About 2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine

2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine (PubChem CID 116795439) has the molecular formula C6H7F3N4 and a molecular weight of 192.14 g/mol. Its IUPAC name is 2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
PubChem CID116795439
Molecular FormulaC6H7F3N4
Molecular Weight192.14 g/mol
Exact Mass192.06
IUPAC Name2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
SMILESNc1ccnc(NCC(F)(F)F)n1
InChIInChI=1S/C6H7F3N4/c7-6(8,9)3-12-5-11-2-1-4(10)13-5/h1-2H,3H2,(H3,10,11,12,13)
InChIKeyUYJNCBYQSYMUKF-UHFFFAOYSA-N
XLogP1.03
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine 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-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-diamine
CID 106296048
3-[(4-aminopyrimidin-2-yl)amino]-2,2-difluoropropan-1-ol
CID 106174497
3-[(4-aminopyrimidin-2-yl)amino]-2-methylpropane-1,2-diol
CID 116796093
4-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 112636496
2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 116795864
2-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 83695203
2-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 83695078
2-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine
CID 116797252
2-N-(2-bromoprop-2-enyl)pyrimidine-2,4-diamine
CID 116797364
2-[(4-aminopyrimidin-2-yl)amino]-N-tert-butylacetamide
CID 115978168
2-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-2,4-diamine
CID 116795587
2-N-(3-methylsulfanylpropyl)pyrimidine-2,4-diamine
CID 116795959

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine (CID 116795439) is 2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine is Nc1ccnc(NCC(F)(F)F)n1.
What is the InChIKey of 2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine?
The InChIKey is UYJNCBYQSYMUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4/c7-6(8,9)3-12-5-11-2-1-4(10)13-5/h1-2H,3H2,(H3,10,11,12,13).
What are the key properties of 2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine?
2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine has a molecular weight of 192.14 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 116795439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).