2-[(5-fluoropyrimidin-2-yl)amino]-N-methylpropanamide

C8H11FN4O — CID 115749975

IUPAC2-[(5-fluoropyrimidin-2-yl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1ncc(F)cn1
InChIInChI=1S/C8H11FN4O/c1-5(7(14)10-2)13-8-11-3-6(9)4-12-8/h3-5H,1-2H3,(H,10,14)(H,11,12,13)
InChIKeyKJBIIPMOOZZKDY-UHFFFAOYSA-N
MW198.20 g/mol
LogP0.16
Rot. Bonds3

About 2-[(5-fluoropyrimidin-2-yl)amino]-N-methylpropanamide

2-[(5-fluoropyrimidin-2-yl)amino]-N-methylpropanamide (PubChem CID 115749975) has the molecular formula C8H11FN4O and a molecular weight of 198.20 g/mol. Its IUPAC name is 2-[(5-fluoropyrimidin-2-yl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(5-fluoropyrimidin-2-yl)amino]-N-methylpropanamide
PubChem CID115749975
Molecular FormulaC8H11FN4O
Molecular Weight198.20 g/mol
Exact Mass198.09
IUPAC Name2-[(5-fluoropyrimidin-2-yl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1ncc(F)cn1
InChIInChI=1S/C8H11FN4O/c1-5(7(14)10-2)13-8-11-3-6(9)4-12-8/h3-5H,1-2H3,(H,10,14)(H,11,12,13)
InChIKeyKJBIIPMOOZZKDY-UHFFFAOYSA-N
XLogP0.16
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(5-fluoropyrimidin-2-yl)amino]-N-methylpropanamide 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-fluoropyrimidin-2-yl)amino]-N-methylpropanamide?
The IUPAC name of 2-[(5-fluoropyrimidin-2-yl)amino]-N-methylpropanamide (CID 115749975) is 2-[(5-fluoropyrimidin-2-yl)amino]-N-methylpropanamide.
What is the SMILES notation for 2-[(5-fluoropyrimidin-2-yl)amino]-N-methylpropanamide?
The canonical SMILES for 2-[(5-fluoropyrimidin-2-yl)amino]-N-methylpropanamide is CNC(=O)C(C)Nc1ncc(F)cn1.
What is the InChIKey of 2-[(5-fluoropyrimidin-2-yl)amino]-N-methylpropanamide?
The InChIKey is KJBIIPMOOZZKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN4O/c1-5(7(14)10-2)13-8-11-3-6(9)4-12-8/h3-5H,1-2H3,(H,10,14)(H,11,12,13).
What are the key properties of 2-[(5-fluoropyrimidin-2-yl)amino]-N-methylpropanamide?
2-[(5-fluoropyrimidin-2-yl)amino]-N-methylpropanamide has a molecular weight of 198.20 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoropyrimidin-2-yl)amino]-N-methylpropanamide is sourced from PubChem (CID 115749975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).