2-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine

C11H14FN7S — CID 80885779

IUPAC2-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine
SMILESCCCNc1ncc(F)c(Sc2nc(N)cc(N)n2)n1
InChIInChI=1S/C11H14FN7S/c1-2-3-15-10-16-5-6(12)9(19-10)20-11-17-7(13)4-8(14)18-11/h4-5H,2-3H2,1H3,(H,15,16,19)(H4,13,14,17,18)
InChIKeyHAZNTVHHSGAYEQ-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.54
Rot. Bonds5

About 2-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine

2-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine (PubChem CID 80885779) has the molecular formula C11H14FN7S and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine
PubChem CID80885779
Molecular FormulaC11H14FN7S
Molecular Weight295.35 g/mol
Exact Mass295.10
IUPAC Name2-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine
SMILESCCCNc1ncc(F)c(Sc2nc(N)cc(N)n2)n1
InChIInChI=1S/C11H14FN7S/c1-2-3-15-10-16-5-6(12)9(19-10)20-11-17-7(13)4-8(14)18-11/h4-5H,2-3H2,1H3,(H,15,16,19)(H4,13,14,17,18)
InChIKeyHAZNTVHHSGAYEQ-UHFFFAOYSA-N
XLogP1.54
TPSA115.63 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanylpyrimidine-4,6-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 2-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine?
The IUPAC name of 2-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine (CID 80885779) is 2-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 2-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine is CCCNc1ncc(F)c(Sc2nc(N)cc(N)n2)n1.
What is the InChIKey of 2-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine?
The InChIKey is HAZNTVHHSGAYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN7S/c1-2-3-15-10-16-5-6(12)9(19-10)20-11-17-7(13)4-8(14)18-11/h4-5H,2-3H2,1H3,(H,15,16,19)(H4,13,14,17,18).
What are the key properties of 2-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine?
2-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine has a molecular weight of 295.35 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 80885779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).