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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Related Compounds

2-chloro-6-methyl-4-N-(3-propoxypropyl)pyrimidine-4,5-diamine
CID 114043935
2-[2-[(2,5-dichloropyrimidin-4-yl)amino]ethoxy]acetamide
CID 106240010
2-[2-[(3-amino-6-methyl-2-pyridinyl)amino]ethoxy]acetamide
CID 106234320
2-[2-[(6-chloro-5-formyl-2-methylpyrimidin-4-yl)amino]ethoxy]acetamide
CID 106240012
2-[2-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]ethoxy]acetamide
CID 106242021
2-[2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]ethoxy]acetamide
CID 106241829
2-[2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]ethoxy]acetamide
CID 106240109
2-[2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethoxy]acetamide
CID 106242015
2-[2-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethoxy]acetamide
CID 106241770
2-[2-[(5-amino-6-propoxypyrimidin-4-yl)amino]ethoxy]acetamide
CID 106234455
2-chloro-6-methyl-4-N-(3-methylsulfinylbutyl)pyrimidine-4,5-diamine
CID 114043968
methyl 2-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-3-methylbutanoate
CID 114043734

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).