2-[2-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]ethoxy]acetamide

C10H15ClN4O3 — CID 114162689

IUPAC2-[2-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]ethoxy]acetamide
SMILESCOCc1nc(Cl)cc(NCCOCC(N)=O)n1
InChIInChI=1S/C10H15ClN4O3/c1-17-6-10-14-7(11)4-9(15-10)13-2-3-18-5-8(12)16/h4H,2-3,5-6H2,1H3,(H2,12,16)(H,13,14,15)
InChIKeyYHBQATPJWPLSDA-UHFFFAOYSA-N
MW274.71 g/mol
LogP0.19
Rot. Bonds8

About 2-[2-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]ethoxy]acetamide

2-[2-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]ethoxy]acetamide (PubChem CID 114162689) has the molecular formula C10H15ClN4O3 and a molecular weight of 274.71 g/mol. Its IUPAC name is 2-[2-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]ethoxy]acetamide
PubChem CID114162689
Molecular FormulaC10H15ClN4O3
Molecular Weight274.71 g/mol
Exact Mass274.08
IUPAC Name2-[2-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]ethoxy]acetamide
SMILESCOCc1nc(Cl)cc(NCCOCC(N)=O)n1
InChIInChI=1S/C10H15ClN4O3/c1-17-6-10-14-7(11)4-9(15-10)13-2-3-18-5-8(12)16/h4H,2-3,5-6H2,1H3,(H2,12,16)(H,13,14,15)
InChIKeyYHBQATPJWPLSDA-UHFFFAOYSA-N
XLogP0.19
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(6-chloro-4-cyano-2-pyridinyl)amino]ethoxy]acetamide
CID 106240014
2-[2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]ethoxy]acetamide
CID 106241808
6-chloro-N-(3-ethoxypropyl)-2-(methoxymethyl)pyrimidin-4-amine
CID 82463136
2-[2-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]ethoxy]acetamide
CID 106241892
2-[2-[(6-chloropyrimidin-4-yl)amino]ethoxy]acetamide
CID 106240051
5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]pentan-2-ol
CID 106137286
2-[2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]ethoxy]acetamide
CID 106242008
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-chloro-6-(ethylamino)pyridine-4-carboxamide
CID 106241191
3-[(6-chloro-2-ethylpyrimidin-4-yl)amino]propanamide
CID 80936690
2-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-N-ethylethanesulfonamide
CID 106341586
5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpentan-1-ol
CID 106162537
4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butanamide
CID 80936075

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]ethoxy]acetamide?
The IUPAC name of 2-[2-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]ethoxy]acetamide (CID 114162689) is 2-[2-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]ethoxy]acetamide is COCc1nc(Cl)cc(NCCOCC(N)=O)n1.
What is the InChIKey of 2-[2-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]ethoxy]acetamide?
The InChIKey is YHBQATPJWPLSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O3/c1-17-6-10-14-7(11)4-9(15-10)13-2-3-18-5-8(12)16/h4H,2-3,5-6H2,1H3,(H2,12,16)(H,13,14,15).
What are the key properties of 2-[2-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]ethoxy]acetamide?
2-[2-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]ethoxy]acetamide has a molecular weight of 274.71 g/mol, XLogP of 0.19, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]ethoxy]acetamide is sourced from PubChem (CID 114162689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).