3-[(5-fluoropyrimidin-2-yl)amino]-3-methylbutanamide

C9H13FN4O — CID 106097186

IUPAC3-[(5-fluoropyrimidin-2-yl)amino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)Nc1ncc(F)cn1
InChIInChI=1S/C9H13FN4O/c1-9(2,3-7(11)15)14-8-12-4-6(10)5-13-8/h4-5H,3H2,1-2H3,(H2,11,15)(H,12,13,14)
InChIKeyLDMLPKYDCKPSHC-UHFFFAOYSA-N
MW212.23 g/mol
LogP0.68
Rot. Bonds4

About 3-[(5-fluoropyrimidin-2-yl)amino]-3-methylbutanamide

3-[(5-fluoropyrimidin-2-yl)amino]-3-methylbutanamide (PubChem CID 106097186) has the molecular formula C9H13FN4O and a molecular weight of 212.23 g/mol. Its IUPAC name is 3-[(5-fluoropyrimidin-2-yl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(5-fluoropyrimidin-2-yl)amino]-3-methylbutanamide
PubChem CID106097186
Molecular FormulaC9H13FN4O
Molecular Weight212.23 g/mol
Exact Mass212.11
IUPAC Name3-[(5-fluoropyrimidin-2-yl)amino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)Nc1ncc(F)cn1
InChIInChI=1S/C9H13FN4O/c1-9(2,3-7(11)15)14-8-12-4-6(10)5-13-8/h4-5H,3H2,1-2H3,(H2,11,15)(H,12,13,14)
InChIKeyLDMLPKYDCKPSHC-UHFFFAOYSA-N
XLogP0.68
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 ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-3-(quinazolin-2-ylamino)butanamide
CID 106097327
3-[(4-amino-2-pyridinyl)amino]-3-methylbutanamide
CID 106095700
2-[(5-fluoropyrimidin-2-yl)amino]-2-methylbutan-1-ol
CID 115750244
3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanamide
CID 106097326
2-cyclopropyl-2-[(5-fluoropyrimidin-2-yl)amino]propanoic acid
CID 104605935
3-[(3-amino-5-bromo-2-pyridinyl)amino]-3-methylbutanamide
CID 106095644
3-methyl-3-[[5-(propylamino)-3-pyridinyl]amino]butanamide
CID 106098779
3-[(6-carbamothioyl-3-pyridinyl)amino]-3-methylbutanamide
CID 106096803
3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-3-methylbutanamide
CID 106098676
3-methyl-3-[[6-(methylamino)pyrazin-2-yl]amino]butanamide
CID 106098847
3-methyl-3-[[5-(methylamino)-3-pyridinyl]amino]butanamide
CID 106098680
3-methyl-3-[(4-propoxypyrimidin-2-yl)amino]butanamide
CID 106097009

Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoropyrimidin-2-yl)amino]-3-methylbutanamide?
The IUPAC name of 3-[(5-fluoropyrimidin-2-yl)amino]-3-methylbutanamide (CID 106097186) is 3-[(5-fluoropyrimidin-2-yl)amino]-3-methylbutanamide.
What is the SMILES notation for 3-[(5-fluoropyrimidin-2-yl)amino]-3-methylbutanamide?
The canonical SMILES for 3-[(5-fluoropyrimidin-2-yl)amino]-3-methylbutanamide is CC(C)(CC(N)=O)Nc1ncc(F)cn1.
What is the InChIKey of 3-[(5-fluoropyrimidin-2-yl)amino]-3-methylbutanamide?
The InChIKey is LDMLPKYDCKPSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN4O/c1-9(2,3-7(11)15)14-8-12-4-6(10)5-13-8/h4-5H,3H2,1-2H3,(H2,11,15)(H,12,13,14).
What are the key properties of 3-[(5-fluoropyrimidin-2-yl)amino]-3-methylbutanamide?
3-[(5-fluoropyrimidin-2-yl)amino]-3-methylbutanamide has a molecular weight of 212.23 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoropyrimidin-2-yl)amino]-3-methylbutanamide is sourced from PubChem (CID 106097186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).