3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]butanamide

C9H13FN4O — CID 103703522

IUPAC3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]butanamide
SMILESCc1ncnc(NC(C)CC(N)=O)c1F
InChIInChI=1S/C9H13FN4O/c1-5(3-7(11)15)14-9-8(10)6(2)12-4-13-9/h4-5H,3H2,1-2H3,(H2,11,15)(H,12,13,14)
InChIKeyCCONLHTUPYULFR-UHFFFAOYSA-N
MW212.23 g/mol
LogP0.60
Rot. Bonds4

About 3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]butanamide

3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]butanamide (PubChem CID 103703522) has the molecular formula C9H13FN4O and a molecular weight of 212.23 g/mol. Its IUPAC name is 3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]butanamide.

Molecular Properties

Compound Name3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]butanamide
PubChem CID103703522
Molecular FormulaC9H13FN4O
Molecular Weight212.23 g/mol
Exact Mass212.11
IUPAC Name3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]butanamide
SMILESCc1ncnc(NC(C)CC(N)=O)c1F
InChIInChI=1S/C9H13FN4O/c1-5(3-7(11)15)14-9-8(10)6(2)12-4-13-9/h4-5H,3H2,1-2H3,(H2,11,15)(H,12,13,14)
InChIKeyCCONLHTUPYULFR-UHFFFAOYSA-N
XLogP0.60
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]butanamide?
The IUPAC name of 3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]butanamide (CID 103703522) is 3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]butanamide.
What is the SMILES notation for 3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]butanamide?
The canonical SMILES for 3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]butanamide is Cc1ncnc(NC(C)CC(N)=O)c1F.
What is the InChIKey of 3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]butanamide?
The InChIKey is CCONLHTUPYULFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN4O/c1-5(3-7(11)15)14-9-8(10)6(2)12-4-13-9/h4-5H,3H2,1-2H3,(H2,11,15)(H,12,13,14).
What are the key properties of 3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]butanamide?
3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]butanamide has a molecular weight of 212.23 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]butanamide is sourced from PubChem (CID 103703522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).