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

C9H14ClN5O2 — CID 106234334

IUPAC2-[2-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]ethoxy]acetamide
SMILESCc1nc(Cl)nc(NCCOCC(N)=O)c1N
InChIInChI=1S/C9H14ClN5O2/c1-5-7(12)8(15-9(10)14-5)13-2-3-17-4-6(11)16/h2-4,12H2,1H3,(H2,11,16)(H,13,14,15)
InChIKeyQSRWZVUMOCBTIN-UHFFFAOYSA-N
MW259.70 g/mol
LogP-0.07
Rot. Bonds6

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

2-[2-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]ethoxy]acetamide (PubChem CID 106234334) has the molecular formula C9H14ClN5O2 and a molecular weight of 259.70 g/mol. Its IUPAC name is 2-[2-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]ethoxy]acetamide
PubChem CID106234334
Molecular FormulaC9H14ClN5O2
Molecular Weight259.70 g/mol
Exact Mass259.08
IUPAC Name2-[2-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]ethoxy]acetamide
SMILESCc1nc(Cl)nc(NCCOCC(N)=O)c1N
InChIInChI=1S/C9H14ClN5O2/c1-5-7(12)8(15-9(10)14-5)13-2-3-17-4-6(11)16/h2-4,12H2,1H3,(H2,11,16)(H,13,14,15)
InChIKeyQSRWZVUMOCBTIN-UHFFFAOYSA-N
XLogP-0.07
TPSA116.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]ethoxy]acetamide (CID 106234334) is 2-[2-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]ethoxy]acetamide is Cc1nc(Cl)nc(NCCOCC(N)=O)c1N.
What is the InChIKey of 2-[2-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]ethoxy]acetamide?
The InChIKey is QSRWZVUMOCBTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN5O2/c1-5-7(12)8(15-9(10)14-5)13-2-3-17-4-6(11)16/h2-4,12H2,1H3,(H2,11,16)(H,13,14,15).
What are the key properties of 2-[2-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]ethoxy]acetamide?
2-[2-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]ethoxy]acetamide has a molecular weight of 259.70 g/mol, XLogP of -0.07, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]ethoxy]acetamide is sourced from PubChem (CID 106234334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).