6-(2,2-difluoroethoxy)-4-N-propylpyrimidine-2,4-diamine

C9H14F2N4O — CID 82010674

IUPAC6-(2,2-difluoroethoxy)-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1cc(OCC(F)F)nc(N)n1
InChIInChI=1S/C9H14F2N4O/c1-2-3-13-7-4-8(15-9(12)14-7)16-5-6(10)11/h4,6H,2-3,5H2,1H3,(H3,12,13,14,15)
InChIKeyOXFVAAOJEJTUPM-UHFFFAOYSA-N
MW232.23 g/mol
LogP1.52
Rot. Bonds6

About 6-(2,2-difluoroethoxy)-4-N-propylpyrimidine-2,4-diamine

6-(2,2-difluoroethoxy)-4-N-propylpyrimidine-2,4-diamine (PubChem CID 82010674) has the molecular formula C9H14F2N4O and a molecular weight of 232.23 g/mol. Its IUPAC name is 6-(2,2-difluoroethoxy)-4-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(2,2-difluoroethoxy)-4-N-propylpyrimidine-2,4-diamine
PubChem CID82010674
Molecular FormulaC9H14F2N4O
Molecular Weight232.23 g/mol
Exact Mass232.11
IUPAC Name6-(2,2-difluoroethoxy)-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1cc(OCC(F)F)nc(N)n1
InChIInChI=1S/C9H14F2N4O/c1-2-3-13-7-4-8(15-9(12)14-7)16-5-6(10)11/h4,6H,2-3,5H2,1H3,(H3,12,13,14,15)
InChIKeyOXFVAAOJEJTUPM-UHFFFAOYSA-N
XLogP1.52
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(2,2-difluoroethoxy)-4-N-propylpyrimidine-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

6-(2,2-difluoroethoxy)-2-phenyl-N-propylpyrimidin-4-amine
CID 115915961
6-[(2-methylpropan-2-yl)oxy]-4-N-propylpyrimidine-2,4-diamine
CID 80861882
6-ethoxy-4-N-pentylpyrimidine-2,4-diamine
CID 91405018
6-butoxy-4-N-dodecylpyrimidine-2,4-diamine
CID 91022427
6-ethoxy-4-N-ethylpyrimidine-2,4-diamine
CID 80858129
6-(2-ethoxyphenoxy)-4-N-propylpyrimidine-2,4-diamine
CID 80867130
6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine
CID 80766256
6-(2,2-difluoroethoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 82010545
4-hydrazinyl-6-(2-methylpentoxy)pyrimidin-2-amine
CID 103286528
6-(2-propan-2-ylphenoxy)-4-N-propylpyrimidine-2,4-diamine
CID 80874035
6-methoxy-4-N-nonylpyrimidine-2,4-diamine
CID 91451166
4-N-dodecyl-6-methoxypyrimidine-2,4-diamine
CID 91378772

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoroethoxy)-4-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 6-(2,2-difluoroethoxy)-4-N-propylpyrimidine-2,4-diamine (CID 82010674) is 6-(2,2-difluoroethoxy)-4-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(2,2-difluoroethoxy)-4-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(2,2-difluoroethoxy)-4-N-propylpyrimidine-2,4-diamine is CCCNc1cc(OCC(F)F)nc(N)n1.
What is the InChIKey of 6-(2,2-difluoroethoxy)-4-N-propylpyrimidine-2,4-diamine?
The InChIKey is OXFVAAOJEJTUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N4O/c1-2-3-13-7-4-8(15-9(12)14-7)16-5-6(10)11/h4,6H,2-3,5H2,1H3,(H3,12,13,14,15).
What are the key properties of 6-(2,2-difluoroethoxy)-4-N-propylpyrimidine-2,4-diamine?
6-(2,2-difluoroethoxy)-4-N-propylpyrimidine-2,4-diamine has a molecular weight of 232.23 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluoroethoxy)-4-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 82010674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).