2-[(2-amino-2-oxoethyl)-(6-chloropyrimidin-4-yl)amino]acetamide

C8H10ClN5O2 — CID 62923523

IUPAC2-[(2-amino-2-oxoethyl)-(6-chloropyrimidin-4-yl)amino]acetamide
SMILESNC(=O)CN(CC(N)=O)c1cc(Cl)ncn1
InChIInChI=1S/C8H10ClN5O2/c9-5-1-8(13-4-12-5)14(2-6(10)15)3-7(11)16/h1,4H,2-3H2,(H2,10,15)(H2,11,16)
InChIKeyFHICAYAFRWFEBU-UHFFFAOYSA-N
MW243.65 g/mol
LogP-1.09
Rot. Bonds5

About 2-[(2-amino-2-oxoethyl)-(6-chloropyrimidin-4-yl)amino]acetamide

2-[(2-amino-2-oxoethyl)-(6-chloropyrimidin-4-yl)amino]acetamide (PubChem CID 62923523) has the molecular formula C8H10ClN5O2 and a molecular weight of 243.65 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(6-chloropyrimidin-4-yl)amino]acetamide.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(6-chloropyrimidin-4-yl)amino]acetamide
PubChem CID62923523
Molecular FormulaC8H10ClN5O2
Molecular Weight243.65 g/mol
Exact Mass243.05
IUPAC Name2-[(2-amino-2-oxoethyl)-(6-chloropyrimidin-4-yl)amino]acetamide
SMILESNC(=O)CN(CC(N)=O)c1cc(Cl)ncn1
InChIInChI=1S/C8H10ClN5O2/c9-5-1-8(13-4-12-5)14(2-6(10)15)3-7(11)16/h1,4H,2-3H2,(H2,10,15)(H2,11,16)
InChIKeyFHICAYAFRWFEBU-UHFFFAOYSA-N
XLogP-1.09
TPSA115.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.65
LogP ≤ 5-1.09
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)-(6-chloropyrimidin-4-yl)amino]acetamide?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(6-chloropyrimidin-4-yl)amino]acetamide (CID 62923523) is 2-[(2-amino-2-oxoethyl)-(6-chloropyrimidin-4-yl)amino]acetamide.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(6-chloropyrimidin-4-yl)amino]acetamide?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(6-chloropyrimidin-4-yl)amino]acetamide is NC(=O)CN(CC(N)=O)c1cc(Cl)ncn1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(6-chloropyrimidin-4-yl)amino]acetamide?
The InChIKey is FHICAYAFRWFEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN5O2/c9-5-1-8(13-4-12-5)14(2-6(10)15)3-7(11)16/h1,4H,2-3H2,(H2,10,15)(H2,11,16).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(6-chloropyrimidin-4-yl)amino]acetamide?
2-[(2-amino-2-oxoethyl)-(6-chloropyrimidin-4-yl)amino]acetamide has a molecular weight of 243.65 g/mol, XLogP of -1.09, 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)-(6-chloropyrimidin-4-yl)amino]acetamide is sourced from PubChem (CID 62923523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).