2-[2-[(6-chloro-5-formyl-2-methylpyrimidin-4-yl)amino]ethoxy]acetamide

C10H13ClN4O3 — CID 106240012

IUPAC2-[2-[(6-chloro-5-formyl-2-methylpyrimidin-4-yl)amino]ethoxy]acetamide
SMILESCc1nc(Cl)c(C=O)c(NCCOCC(N)=O)n1
InChIInChI=1S/C10H13ClN4O3/c1-6-14-9(11)7(4-16)10(15-6)13-2-3-18-5-8(12)17/h4H,2-3,5H2,1H3,(H2,12,17)(H,13,14,15)
InChIKeyKHUVMBOEIRKYCT-UHFFFAOYSA-N
MW272.69 g/mol
LogP0.16
Rot. Bonds7

About 2-[2-[(6-chloro-5-formyl-2-methylpyrimidin-4-yl)amino]ethoxy]acetamide

2-[2-[(6-chloro-5-formyl-2-methylpyrimidin-4-yl)amino]ethoxy]acetamide (PubChem CID 106240012) has the molecular formula C10H13ClN4O3 and a molecular weight of 272.69 g/mol. Its IUPAC name is 2-[2-[(6-chloro-5-formyl-2-methylpyrimidin-4-yl)amino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(6-chloro-5-formyl-2-methylpyrimidin-4-yl)amino]ethoxy]acetamide
PubChem CID106240012
Molecular FormulaC10H13ClN4O3
Molecular Weight272.69 g/mol
Exact Mass272.07
IUPAC Name2-[2-[(6-chloro-5-formyl-2-methylpyrimidin-4-yl)amino]ethoxy]acetamide
SMILESCc1nc(Cl)c(C=O)c(NCCOCC(N)=O)n1
InChIInChI=1S/C10H13ClN4O3/c1-6-14-9(11)7(4-16)10(15-6)13-2-3-18-5-8(12)17/h4H,2-3,5H2,1H3,(H2,12,17)(H,13,14,15)
InChIKeyKHUVMBOEIRKYCT-UHFFFAOYSA-N
XLogP0.16
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-chloro-5-formyl-2-methylpyrimidin-4-yl)amino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(6-chloro-5-formyl-2-methylpyrimidin-4-yl)amino]ethoxy]acetamide (CID 106240012) is 2-[2-[(6-chloro-5-formyl-2-methylpyrimidin-4-yl)amino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(6-chloro-5-formyl-2-methylpyrimidin-4-yl)amino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(6-chloro-5-formyl-2-methylpyrimidin-4-yl)amino]ethoxy]acetamide is Cc1nc(Cl)c(C=O)c(NCCOCC(N)=O)n1.
What is the InChIKey of 2-[2-[(6-chloro-5-formyl-2-methylpyrimidin-4-yl)amino]ethoxy]acetamide?
The InChIKey is KHUVMBOEIRKYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O3/c1-6-14-9(11)7(4-16)10(15-6)13-2-3-18-5-8(12)17/h4H,2-3,5H2,1H3,(H2,12,17)(H,13,14,15).
What are the key properties of 2-[2-[(6-chloro-5-formyl-2-methylpyrimidin-4-yl)amino]ethoxy]acetamide?
2-[2-[(6-chloro-5-formyl-2-methylpyrimidin-4-yl)amino]ethoxy]acetamide has a molecular weight of 272.69 g/mol, XLogP of 0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-chloro-5-formyl-2-methylpyrimidin-4-yl)amino]ethoxy]acetamide is sourced from PubChem (CID 106240012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).