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

C9H13FN4O — CID 75482631

IUPAC2-[(5-fluoropyrimidin-2-yl)amino]-3-methylbutanamide
SMILESCC(C)C(Nc1ncc(F)cn1)C(N)=O
InChIInChI=1S/C9H13FN4O/c1-5(2)7(8(11)15)14-9-12-3-6(10)4-13-9/h3-5,7H,1-2H3,(H2,11,15)(H,12,13,14)
InChIKeyPZSTYEGJXLXXMK-UHFFFAOYSA-N
MW212.23 g/mol
LogP0.54
Rot. Bonds4

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

2-[(5-fluoropyrimidin-2-yl)amino]-3-methylbutanamide (PubChem CID 75482631) has the molecular formula C9H13FN4O and a molecular weight of 212.23 g/mol. Its IUPAC name is 2-[(5-fluoropyrimidin-2-yl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[(5-fluoropyrimidin-2-yl)amino]-3-methylbutanamide
PubChem CID75482631
Molecular FormulaC9H13FN4O
Molecular Weight212.23 g/mol
Exact Mass212.11
IUPAC Name2-[(5-fluoropyrimidin-2-yl)amino]-3-methylbutanamide
SMILESCC(C)C(Nc1ncc(F)cn1)C(N)=O
InChIInChI=1S/C9H13FN4O/c1-5(2)7(8(11)15)14-9-12-3-6(10)4-13-9/h3-5,7H,1-2H3,(H2,11,15)(H,12,13,14)
InChIKeyPZSTYEGJXLXXMK-UHFFFAOYSA-N
XLogP0.54
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 ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoropyrimidin-2-yl)amino]-3-methylbutanamide?
The IUPAC name of 2-[(5-fluoropyrimidin-2-yl)amino]-3-methylbutanamide (CID 75482631) is 2-[(5-fluoropyrimidin-2-yl)amino]-3-methylbutanamide.
What is the SMILES notation for 2-[(5-fluoropyrimidin-2-yl)amino]-3-methylbutanamide?
The canonical SMILES for 2-[(5-fluoropyrimidin-2-yl)amino]-3-methylbutanamide is CC(C)C(Nc1ncc(F)cn1)C(N)=O.
What is the InChIKey of 2-[(5-fluoropyrimidin-2-yl)amino]-3-methylbutanamide?
The InChIKey is PZSTYEGJXLXXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN4O/c1-5(2)7(8(11)15)14-9-12-3-6(10)4-13-9/h3-5,7H,1-2H3,(H2,11,15)(H,12,13,14).
What are the key properties of 2-[(5-fluoropyrimidin-2-yl)amino]-3-methylbutanamide?
2-[(5-fluoropyrimidin-2-yl)amino]-3-methylbutanamide has a molecular weight of 212.23 g/mol, XLogP of 0.54, 4 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]-3-methylbutanamide is sourced from PubChem (CID 75482631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).