2-(2-aminoethoxy)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide

C10H16N4O2 — CID 79474047

IUPAC2-(2-aminoethoxy)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide
SMILESCc1nccc(CNC(=O)COCCN)n1
InChIInChI=1S/C10H16N4O2/c1-8-12-4-2-9(14-8)6-13-10(15)7-16-5-3-11/h2,4H,3,5-7,11H2,1H3,(H,13,15)
InChIKeyDHAKARHOMFOXME-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.62
Rot. Bonds6

About 2-(2-aminoethoxy)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide

2-(2-aminoethoxy)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide (PubChem CID 79474047) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide
PubChem CID79474047
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name2-(2-aminoethoxy)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide
SMILESCc1nccc(CNC(=O)COCCN)n1
InChIInChI=1S/C10H16N4O2/c1-8-12-4-2-9(14-8)6-13-10(15)7-16-5-3-11/h2,4H,3,5-7,11H2,1H3,(H,13,15)
InChIKeyDHAKARHOMFOXME-UHFFFAOYSA-N
XLogP-0.62
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(2-methylpyrimidin-4-yl)methylamino]ethoxy]acetamide
CID 106236339
3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]propanamide
CID 61016398
2-(2-aminophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide
CID 61138716
2-(2-aminoethoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 79464439
N-[(2-methylpyrimidin-4-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 61016997
2-(1-aminocyclopentyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide
CID 64678565
3-amino-2,2,3-trimethyl-N-[(2-methylpyrimidin-4-yl)methyl]butanamide
CID 65269676
2-(2-aminoethoxy)-N-(1,2-oxazol-5-ylmethyl)acetamide
CID 106417066
2-[(2-methylpyrimidin-4-yl)methylamino]ethyl carbamate
CID 83211810
2-[2-[(2-methylpyrimidin-4-yl)methylamino]-2-oxoethyl]benzoic acid
CID 115923726
2-(cyclopentylamino)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide
CID 54901558
5-amino-N-[(2-methylpyrimidin-4-yl)methyl]pyrazine-2-carboxamide
CID 113381906

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide (CID 79474047) is 2-(2-aminoethoxy)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide is Cc1nccc(CNC(=O)COCCN)n1.
What is the InChIKey of 2-(2-aminoethoxy)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide?
The InChIKey is DHAKARHOMFOXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-8-12-4-2-9(14-8)6-13-10(15)7-16-5-3-11/h2,4H,3,5-7,11H2,1H3,(H,13,15).
What are the key properties of 2-(2-aminoethoxy)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide?
2-(2-aminoethoxy)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide has a molecular weight of 224.26 g/mol, XLogP of -0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide is sourced from PubChem (CID 79474047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).