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

C8H9ClFN5O2 — CID 79081763

IUPAC2-[(2-amino-2-oxoethyl)-(2-chloro-5-fluoropyrimidin-4-yl)amino]acetamide
SMILESNC(=O)CN(CC(N)=O)c1nc(Cl)ncc1F
InChIInChI=1S/C8H9ClFN5O2/c9-8-13-1-4(10)7(14-8)15(2-5(11)16)3-6(12)17/h1H,2-3H2,(H2,11,16)(H2,12,17)
InChIKeyRBNYMHDBTQVCQV-UHFFFAOYSA-N
MW261.64 g/mol
LogP-0.95
Rot. Bonds5

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

2-[(2-amino-2-oxoethyl)-(2-chloro-5-fluoropyrimidin-4-yl)amino]acetamide (PubChem CID 79081763) has the molecular formula C8H9ClFN5O2 and a molecular weight of 261.64 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(2-chloro-5-fluoropyrimidin-4-yl)amino]acetamide.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(2-chloro-5-fluoropyrimidin-4-yl)amino]acetamide
PubChem CID79081763
Molecular FormulaC8H9ClFN5O2
Molecular Weight261.64 g/mol
Exact Mass261.04
IUPAC Name2-[(2-amino-2-oxoethyl)-(2-chloro-5-fluoropyrimidin-4-yl)amino]acetamide
SMILESNC(=O)CN(CC(N)=O)c1nc(Cl)ncc1F
InChIInChI=1S/C8H9ClFN5O2/c9-8-13-1-4(10)7(14-8)15(2-5(11)16)3-6(12)17/h1H,2-3H2,(H2,11,16)(H2,12,17)
InChIKeyRBNYMHDBTQVCQV-UHFFFAOYSA-N
XLogP-0.95
TPSA115.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.64
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(2-chloro-5-fluoropyrimidin-4-yl)amino]acetamide?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(2-chloro-5-fluoropyrimidin-4-yl)amino]acetamide (CID 79081763) is 2-[(2-amino-2-oxoethyl)-(2-chloro-5-fluoropyrimidin-4-yl)amino]acetamide.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(2-chloro-5-fluoropyrimidin-4-yl)amino]acetamide?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(2-chloro-5-fluoropyrimidin-4-yl)amino]acetamide is NC(=O)CN(CC(N)=O)c1nc(Cl)ncc1F.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(2-chloro-5-fluoropyrimidin-4-yl)amino]acetamide?
The InChIKey is RBNYMHDBTQVCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFN5O2/c9-8-13-1-4(10)7(14-8)15(2-5(11)16)3-6(12)17/h1H,2-3H2,(H2,11,16)(H2,12,17).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(2-chloro-5-fluoropyrimidin-4-yl)amino]acetamide?
2-[(2-amino-2-oxoethyl)-(2-chloro-5-fluoropyrimidin-4-yl)amino]acetamide has a molecular weight of 261.64 g/mol, XLogP of -0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(2-chloro-5-fluoropyrimidin-4-yl)amino]acetamide is sourced from PubChem (CID 79081763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).