4-ethyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine

C7H11F3N4 — CID 154281463

IUPAC4-ethyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
SMILESCCC1(N)N=C(N)NC=C1C(F)(F)F
InChIInChI=1S/C7H11F3N4/c1-2-6(12)4(7(8,9)10)3-13-5(11)14-6/h3H,2,12H2,1H3,(H3,11,13,14)
InChIKeyPMMDHPZUZFJSAH-UHFFFAOYSA-N
MW208.19 g/mol
LogP0.42
Rot. Bonds1

About 4-ethyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine

4-ethyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine (PubChem CID 154281463) has the molecular formula C7H11F3N4 and a molecular weight of 208.19 g/mol. Its IUPAC name is 4-ethyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-ethyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
PubChem CID154281463
Molecular FormulaC7H11F3N4
Molecular Weight208.19 g/mol
Exact Mass208.09
IUPAC Name4-ethyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
SMILESCCC1(N)N=C(N)NC=C1C(F)(F)F
InChIInChI=1S/C7H11F3N4/c1-2-6(12)4(7(8,9)10)3-13-5(11)14-6/h3H,2,12H2,1H3,(H3,11,13,14)
InChIKeyPMMDHPZUZFJSAH-UHFFFAOYSA-N
XLogP0.42
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-ethyl-5-(trifluoromethyl)-1H-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

4-(3,3,3-trifluoropropyl)-1H-pyrimidine-2,4-diamine
CID 143492583
4-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-diamine
CID 143515499
4-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
CID 154168925
4-propan-2-yl-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
CID 176228474
4-ethyl-5-fluoro-1H-pyrimidine-2,4-diamine
CID 171648861
4,5-dimethyl-1H-pyrimidine-2,4-diamine
CID 154332826
4-ethyl-5-fluoro-1H-pyrimidine-2,4-diamine;hydrochloride
CID 171648860

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-ethyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine (CID 154281463) is 4-ethyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-ethyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-ethyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine is CCC1(N)N=C(N)NC=C1C(F)(F)F.
What is the InChIKey of 4-ethyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine?
The InChIKey is PMMDHPZUZFJSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4/c1-2-6(12)4(7(8,9)10)3-13-5(11)14-6/h3H,2,12H2,1H3,(H3,11,13,14).
What are the key properties of 4-ethyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine?
4-ethyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine has a molecular weight of 208.19 g/mol, XLogP of 0.42, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 154281463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).