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

C10H15FN4O — CID 106097233

IUPAC3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-3-methylbutanamide
SMILESCc1ncnc(NC(C)(C)CC(N)=O)c1F
InChIInChI=1S/C10H15FN4O/c1-6-8(11)9(14-5-13-6)15-10(2,3)4-7(12)16/h5H,4H2,1-3H3,(H2,12,16)(H,13,14,15)
InChIKeyUXBMOPHIYZWSLA-UHFFFAOYSA-N
MW226.25 g/mol
LogP0.99
Rot. Bonds4

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

3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-3-methylbutanamide (PubChem CID 106097233) has the molecular formula C10H15FN4O and a molecular weight of 226.25 g/mol. Its IUPAC name is 3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-3-methylbutanamide
PubChem CID106097233
Molecular FormulaC10H15FN4O
Molecular Weight226.25 g/mol
Exact Mass226.12
IUPAC Name3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-3-methylbutanamide
SMILESCc1ncnc(NC(C)(C)CC(N)=O)c1F
InChIInChI=1S/C10H15FN4O/c1-6-8(11)9(14-5-13-6)15-10(2,3)4-7(12)16/h5H,4H2,1-3H3,(H2,12,16)(H,13,14,15)
InChIKeyUXBMOPHIYZWSLA-UHFFFAOYSA-N
XLogP0.99
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.99
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]-3-methylbutanamide?
The IUPAC name of 3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-3-methylbutanamide (CID 106097233) is 3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-3-methylbutanamide.
What is the SMILES notation for 3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-3-methylbutanamide?
The canonical SMILES for 3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-3-methylbutanamide is Cc1ncnc(NC(C)(C)CC(N)=O)c1F.
What is the InChIKey of 3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-3-methylbutanamide?
The InChIKey is UXBMOPHIYZWSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4O/c1-6-8(11)9(14-5-13-6)15-10(2,3)4-7(12)16/h5H,4H2,1-3H3,(H2,12,16)(H,13,14,15).
What are the key properties of 3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-3-methylbutanamide?
3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-3-methylbutanamide has a molecular weight of 226.25 g/mol, XLogP of 0.99, 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]-3-methylbutanamide is sourced from PubChem (CID 106097233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).