(2R)-2-amino-2-(2-fluoropyrimidin-4-yl)-4-methylpentanamide

C10H15FN4O — CID 68979862

IUPAC(2R)-2-amino-2-(2-fluoropyrimidin-4-yl)-4-methylpentanamide
SMILESCC(C)C[C@](N)(C(N)=O)c1ccnc(F)n1
InChIInChI=1S/C10H15FN4O/c1-6(2)5-10(13,8(12)16)7-3-4-14-9(11)15-7/h3-4,6H,5,13H2,1-2H3,(H2,12,16)/t10-/m1/s1
InChIKeyTUGQTQHYASAGAS-SNVBAGLBSA-N
MW226.26 g/mol
LogP0.30
Rot. Bonds4

About (2R)-2-amino-2-(2-fluoropyrimidin-4-yl)-4-methylpentanamide

(2R)-2-amino-2-(2-fluoropyrimidin-4-yl)-4-methylpentanamide (PubChem CID 68979862) has the molecular formula C10H15FN4O and a molecular weight of 226.26 g/mol. Its IUPAC name is (2R)-2-amino-2-(2-fluoropyrimidin-4-yl)-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-2-(2-fluoropyrimidin-4-yl)-4-methylpentanamide
PubChem CID68979862
Molecular FormulaC10H15FN4O
Molecular Weight226.26 g/mol
Exact Mass226.12
IUPAC Name(2R)-2-amino-2-(2-fluoropyrimidin-4-yl)-4-methylpentanamide
SMILESCC(C)C[C@](N)(C(N)=O)c1ccnc(F)n1
InChIInChI=1S/C10H15FN4O/c1-6(2)5-10(13,8(12)16)7-3-4-14-9(11)15-7/h3-4,6H,5,13H2,1-2H3,(H2,12,16)/t10-/m1/s1
InChIKeyTUGQTQHYASAGAS-SNVBAGLBSA-N
XLogP0.30
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(2-fluoropyrimidin-4-yl)-4-methylpentanamide?
The IUPAC name of (2R)-2-amino-2-(2-fluoropyrimidin-4-yl)-4-methylpentanamide (CID 68979862) is (2R)-2-amino-2-(2-fluoropyrimidin-4-yl)-4-methylpentanamide.
What is the SMILES notation for (2R)-2-amino-2-(2-fluoropyrimidin-4-yl)-4-methylpentanamide?
The canonical SMILES for (2R)-2-amino-2-(2-fluoropyrimidin-4-yl)-4-methylpentanamide is CC(C)C[C@](N)(C(N)=O)c1ccnc(F)n1.
What is the InChIKey of (2R)-2-amino-2-(2-fluoropyrimidin-4-yl)-4-methylpentanamide?
The InChIKey is TUGQTQHYASAGAS-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H15FN4O/c1-6(2)5-10(13,8(12)16)7-3-4-14-9(11)15-7/h3-4,6H,5,13H2,1-2H3,(H2,12,16)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-2-(2-fluoropyrimidin-4-yl)-4-methylpentanamide?
(2R)-2-amino-2-(2-fluoropyrimidin-4-yl)-4-methylpentanamide has a molecular weight of 226.26 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(2-fluoropyrimidin-4-yl)-4-methylpentanamide is sourced from PubChem (CID 68979862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).