4-ethyl-5-fluoro-1H-pyrimidine-2,4-diamine;hydrochloride

C6H12ClFN4 — CID 171648860

IUPAC4-ethyl-5-fluoro-1H-pyrimidine-2,4-diamine;hydrochloride
SMILESCCC1(N)N=C(N)NC=C1F.Cl
InChIInChI=1S/C6H11FN4.ClH/c1-2-6(9)4(7)3-10-5(8)11-6;/h3H,2,9H2,1H3,(H3,8,10,11);1H
InChIKeyWTGGXHFOOPWPEA-UHFFFAOYSA-N
MW194.64 g/mol
LogP0.20
Rot. Bonds1

About 4-ethyl-5-fluoro-1H-pyrimidine-2,4-diamine;hydrochloride

4-ethyl-5-fluoro-1H-pyrimidine-2,4-diamine;hydrochloride (PubChem CID 171648860) has the molecular formula C6H12ClFN4 and a molecular weight of 194.64 g/mol. Its IUPAC name is 4-ethyl-5-fluoro-1H-pyrimidine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name4-ethyl-5-fluoro-1H-pyrimidine-2,4-diamine;hydrochloride
PubChem CID171648860
Molecular FormulaC6H12ClFN4
Molecular Weight194.64 g/mol
Exact Mass194.07
IUPAC Name4-ethyl-5-fluoro-1H-pyrimidine-2,4-diamine;hydrochloride
SMILESCCC1(N)N=C(N)NC=C1F.Cl
InChIInChI=1S/C6H11FN4.ClH/c1-2-6(9)4(7)3-10-5(8)11-6;/h3H,2,9H2,1H3,(H3,8,10,11);1H
InChIKeyWTGGXHFOOPWPEA-UHFFFAOYSA-N
XLogP0.20
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.64
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-ethyl-5-fluoro-1H-pyrimidine-2,4-diamine;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-fluoro-1H-pyrimidine-2,4-diamine;hydrochloride?
The IUPAC name of 4-ethyl-5-fluoro-1H-pyrimidine-2,4-diamine;hydrochloride (CID 171648860) is 4-ethyl-5-fluoro-1H-pyrimidine-2,4-diamine;hydrochloride.
What is the SMILES notation for 4-ethyl-5-fluoro-1H-pyrimidine-2,4-diamine;hydrochloride?
The canonical SMILES for 4-ethyl-5-fluoro-1H-pyrimidine-2,4-diamine;hydrochloride is CCC1(N)N=C(N)NC=C1F.Cl.
What is the InChIKey of 4-ethyl-5-fluoro-1H-pyrimidine-2,4-diamine;hydrochloride?
The InChIKey is WTGGXHFOOPWPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN4.ClH/c1-2-6(9)4(7)3-10-5(8)11-6;/h3H,2,9H2,1H3,(H3,8,10,11);1H.
What are the key properties of 4-ethyl-5-fluoro-1H-pyrimidine-2,4-diamine;hydrochloride?
4-ethyl-5-fluoro-1H-pyrimidine-2,4-diamine;hydrochloride has a molecular weight of 194.64 g/mol, XLogP of 0.20, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-fluoro-1H-pyrimidine-2,4-diamine;hydrochloride is sourced from PubChem (CID 171648860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).