(2S)-2-[(2-fluoropyrimidin-4-yl)amino]propanamide

C7H9FN4O — CID 142908251

IUPAC(2S)-2-[(2-fluoropyrimidin-4-yl)amino]propanamide
SMILESC[C@H](Nc1ccnc(F)n1)C(N)=O
InChIInChI=1S/C7H9FN4O/c1-4(6(9)13)11-5-2-3-10-7(8)12-5/h2-4H,1H3,(H2,9,13)(H,10,11,12)/t4-/m0/s1
InChIKeyXDOYYXMVBNFVEF-BYPYZUCNSA-N
MW184.17 g/mol
LogP-0.10
Rot. Bonds3

About (2S)-2-[(2-fluoropyrimidin-4-yl)amino]propanamide

(2S)-2-[(2-fluoropyrimidin-4-yl)amino]propanamide (PubChem CID 142908251) has the molecular formula C7H9FN4O and a molecular weight of 184.17 g/mol. Its IUPAC name is (2S)-2-[(2-fluoropyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound Name(2S)-2-[(2-fluoropyrimidin-4-yl)amino]propanamide
PubChem CID142908251
Molecular FormulaC7H9FN4O
Molecular Weight184.17 g/mol
Exact Mass184.08
IUPAC Name(2S)-2-[(2-fluoropyrimidin-4-yl)amino]propanamide
SMILESC[C@H](Nc1ccnc(F)n1)C(N)=O
InChIInChI=1S/C7H9FN4O/c1-4(6(9)13)11-5-2-3-10-7(8)12-5/h2-4H,1H3,(H2,9,13)(H,10,11,12)/t4-/m0/s1
InChIKeyXDOYYXMVBNFVEF-BYPYZUCNSA-N
XLogP-0.10
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-fluoropyrimidin-4-yl)amino]propanamide?
The IUPAC name of (2S)-2-[(2-fluoropyrimidin-4-yl)amino]propanamide (CID 142908251) is (2S)-2-[(2-fluoropyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for (2S)-2-[(2-fluoropyrimidin-4-yl)amino]propanamide?
The canonical SMILES for (2S)-2-[(2-fluoropyrimidin-4-yl)amino]propanamide is C[C@H](Nc1ccnc(F)n1)C(N)=O.
What is the InChIKey of (2S)-2-[(2-fluoropyrimidin-4-yl)amino]propanamide?
The InChIKey is XDOYYXMVBNFVEF-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H9FN4O/c1-4(6(9)13)11-5-2-3-10-7(8)12-5/h2-4H,1H3,(H2,9,13)(H,10,11,12)/t4-/m0/s1.
What are the key properties of (2S)-2-[(2-fluoropyrimidin-4-yl)amino]propanamide?
(2S)-2-[(2-fluoropyrimidin-4-yl)amino]propanamide has a molecular weight of 184.17 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-fluoropyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 142908251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).