1-N-(5-fluoropyrimidin-2-yl)propane-1,2-diamine

C7H11FN4 — CID 104606339

IUPAC1-N-(5-fluoropyrimidin-2-yl)propane-1,2-diamine
SMILESCC(N)CNc1ncc(F)cn1
InChIInChI=1S/C7H11FN4/c1-5(9)2-10-7-11-3-6(8)4-12-7/h3-5H,2,9H2,1H3,(H,10,11,12)
InChIKeyCOLQLTGJTJPCSN-UHFFFAOYSA-N
MW170.19 g/mol
LogP0.37
Rot. Bonds3

About 1-N-(5-fluoropyrimidin-2-yl)propane-1,2-diamine

1-N-(5-fluoropyrimidin-2-yl)propane-1,2-diamine (PubChem CID 104606339) has the molecular formula C7H11FN4 and a molecular weight of 170.19 g/mol. Its IUPAC name is 1-N-(5-fluoropyrimidin-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(5-fluoropyrimidin-2-yl)propane-1,2-diamine
PubChem CID104606339
Molecular FormulaC7H11FN4
Molecular Weight170.19 g/mol
Exact Mass170.10
IUPAC Name1-N-(5-fluoropyrimidin-2-yl)propane-1,2-diamine
SMILESCC(N)CNc1ncc(F)cn1
InChIInChI=1S/C7H11FN4/c1-5(9)2-10-7-11-3-6(8)4-12-7/h3-5H,2,9H2,1H3,(H,10,11,12)
InChIKeyCOLQLTGJTJPCSN-UHFFFAOYSA-N
XLogP0.37
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-N-(5-fluoropyrimidin-2-yl)propane-1,2-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 1-N-(5-fluoropyrimidin-2-yl)propane-1,2-diamine?
The IUPAC name of 1-N-(5-fluoropyrimidin-2-yl)propane-1,2-diamine (CID 104606339) is 1-N-(5-fluoropyrimidin-2-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N-(5-fluoropyrimidin-2-yl)propane-1,2-diamine?
The canonical SMILES for 1-N-(5-fluoropyrimidin-2-yl)propane-1,2-diamine is CC(N)CNc1ncc(F)cn1.
What is the InChIKey of 1-N-(5-fluoropyrimidin-2-yl)propane-1,2-diamine?
The InChIKey is COLQLTGJTJPCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN4/c1-5(9)2-10-7-11-3-6(8)4-12-7/h3-5H,2,9H2,1H3,(H,10,11,12).
What are the key properties of 1-N-(5-fluoropyrimidin-2-yl)propane-1,2-diamine?
1-N-(5-fluoropyrimidin-2-yl)propane-1,2-diamine has a molecular weight of 170.19 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-fluoropyrimidin-2-yl)propane-1,2-diamine is sourced from PubChem (CID 104606339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).