6-(3,3-difluoropyrrolidin-1-yl)-4-N-propylpyrimidine-2,4-diamine

C11H17F2N5 — CID 122456451

IUPAC6-(3,3-difluoropyrrolidin-1-yl)-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1cc(N2CCC(F)(F)C2)nc(N)n1
InChIInChI=1S/C11H17F2N5/c1-2-4-15-8-6-9(17-10(14)16-8)18-5-3-11(12,13)7-18/h6H,2-5,7H2,1H3,(H3,14,15,16,17)
InChIKeyPXMBPZGIITUPQX-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.73
Rot. Bonds4

About 6-(3,3-difluoropyrrolidin-1-yl)-4-N-propylpyrimidine-2,4-diamine

6-(3,3-difluoropyrrolidin-1-yl)-4-N-propylpyrimidine-2,4-diamine (PubChem CID 122456451) has the molecular formula C11H17F2N5 and a molecular weight of 257.29 g/mol. Its IUPAC name is 6-(3,3-difluoropyrrolidin-1-yl)-4-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(3,3-difluoropyrrolidin-1-yl)-4-N-propylpyrimidine-2,4-diamine
PubChem CID122456451
Molecular FormulaC11H17F2N5
Molecular Weight257.29 g/mol
Exact Mass257.15
IUPAC Name6-(3,3-difluoropyrrolidin-1-yl)-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1cc(N2CCC(F)(F)C2)nc(N)n1
InChIInChI=1S/C11H17F2N5/c1-2-4-15-8-6-9(17-10(14)16-8)18-5-3-11(12,13)7-18/h6H,2-5,7H2,1H3,(H3,14,15,16,17)
InChIKeyPXMBPZGIITUPQX-UHFFFAOYSA-N
XLogP1.73
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(3,3-difluoropyrrolidin-1-yl)-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

Frequently Asked Questions

What is the IUPAC name of 6-(3,3-difluoropyrrolidin-1-yl)-4-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 6-(3,3-difluoropyrrolidin-1-yl)-4-N-propylpyrimidine-2,4-diamine (CID 122456451) is 6-(3,3-difluoropyrrolidin-1-yl)-4-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(3,3-difluoropyrrolidin-1-yl)-4-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(3,3-difluoropyrrolidin-1-yl)-4-N-propylpyrimidine-2,4-diamine is CCCNc1cc(N2CCC(F)(F)C2)nc(N)n1.
What is the InChIKey of 6-(3,3-difluoropyrrolidin-1-yl)-4-N-propylpyrimidine-2,4-diamine?
The InChIKey is PXMBPZGIITUPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N5/c1-2-4-15-8-6-9(17-10(14)16-8)18-5-3-11(12,13)7-18/h6H,2-5,7H2,1H3,(H3,14,15,16,17).
What are the key properties of 6-(3,3-difluoropyrrolidin-1-yl)-4-N-propylpyrimidine-2,4-diamine?
6-(3,3-difluoropyrrolidin-1-yl)-4-N-propylpyrimidine-2,4-diamine has a molecular weight of 257.29 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-difluoropyrrolidin-1-yl)-4-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 122456451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).