2-[(2-amino-5-fluoropyrimidin-4-yl)-methylamino]acetamide

C7H10FN5O — CID 80778787

IUPAC2-[(2-amino-5-fluoropyrimidin-4-yl)-methylamino]acetamide
SMILESCN(CC(N)=O)c1nc(N)ncc1F
InChIInChI=1S/C7H10FN5O/c1-13(3-5(9)14)6-4(8)2-11-7(10)12-6/h2H,3H2,1H3,(H2,9,14)(H2,10,11,12)
InChIKeyWPSVAKYUWVJWNW-UHFFFAOYSA-N
MW199.19 g/mol
LogP-0.88
Rot. Bonds3

About 2-[(2-amino-5-fluoropyrimidin-4-yl)-methylamino]acetamide

2-[(2-amino-5-fluoropyrimidin-4-yl)-methylamino]acetamide (PubChem CID 80778787) has the molecular formula C7H10FN5O and a molecular weight of 199.19 g/mol. Its IUPAC name is 2-[(2-amino-5-fluoropyrimidin-4-yl)-methylamino]acetamide.

Molecular Properties

Compound Name2-[(2-amino-5-fluoropyrimidin-4-yl)-methylamino]acetamide
PubChem CID80778787
Molecular FormulaC7H10FN5O
Molecular Weight199.19 g/mol
Exact Mass199.09
IUPAC Name2-[(2-amino-5-fluoropyrimidin-4-yl)-methylamino]acetamide
SMILESCN(CC(N)=O)c1nc(N)ncc1F
InChIInChI=1S/C7H10FN5O/c1-13(3-5(9)14)6-4(8)2-11-7(10)12-6/h2H,3H2,1H3,(H2,9,14)(H2,10,11,12)
InChIKeyWPSVAKYUWVJWNW-UHFFFAOYSA-N
XLogP-0.88
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.19
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-fluoropyrimidin-4-yl)-methylamino]acetamide?
The IUPAC name of 2-[(2-amino-5-fluoropyrimidin-4-yl)-methylamino]acetamide (CID 80778787) is 2-[(2-amino-5-fluoropyrimidin-4-yl)-methylamino]acetamide.
What is the SMILES notation for 2-[(2-amino-5-fluoropyrimidin-4-yl)-methylamino]acetamide?
The canonical SMILES for 2-[(2-amino-5-fluoropyrimidin-4-yl)-methylamino]acetamide is CN(CC(N)=O)c1nc(N)ncc1F.
What is the InChIKey of 2-[(2-amino-5-fluoropyrimidin-4-yl)-methylamino]acetamide?
The InChIKey is WPSVAKYUWVJWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN5O/c1-13(3-5(9)14)6-4(8)2-11-7(10)12-6/h2H,3H2,1H3,(H2,9,14)(H2,10,11,12).
What are the key properties of 2-[(2-amino-5-fluoropyrimidin-4-yl)-methylamino]acetamide?
2-[(2-amino-5-fluoropyrimidin-4-yl)-methylamino]acetamide has a molecular weight of 199.19 g/mol, XLogP of -0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-fluoropyrimidin-4-yl)-methylamino]acetamide is sourced from PubChem (CID 80778787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).