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

C11H19N5O3 — CID 106234455

IUPAC2-[2-[(5-amino-6-propoxypyrimidin-4-yl)amino]ethoxy]acetamide
SMILESCCCOc1ncnc(NCCOCC(N)=O)c1N
InChIInChI=1S/C11H19N5O3/c1-2-4-19-11-9(13)10(15-7-16-11)14-3-5-18-6-8(12)17/h7H,2-6,13H2,1H3,(H2,12,17)(H,14,15,16)
InChIKeyKYWZMHXRXBBAOS-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.24
Rot. Bonds9

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

2-[2-[(5-amino-6-propoxypyrimidin-4-yl)amino]ethoxy]acetamide (PubChem CID 106234455) has the molecular formula C11H19N5O3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[2-[(5-amino-6-propoxypyrimidin-4-yl)amino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(5-amino-6-propoxypyrimidin-4-yl)amino]ethoxy]acetamide
PubChem CID106234455
Molecular FormulaC11H19N5O3
Molecular Weight269.30 g/mol
Exact Mass269.15
IUPAC Name2-[2-[(5-amino-6-propoxypyrimidin-4-yl)amino]ethoxy]acetamide
SMILESCCCOc1ncnc(NCCOCC(N)=O)c1N
InChIInChI=1S/C11H19N5O3/c1-2-4-19-11-9(13)10(15-7-16-11)14-3-5-18-6-8(12)17/h7H,2-6,13H2,1H3,(H2,12,17)(H,14,15,16)
InChIKeyKYWZMHXRXBBAOS-UHFFFAOYSA-N
XLogP-0.24
TPSA125.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(6-amino-5-ethylpyrimidin-4-yl)amino]ethoxy]acetamide
CID 106241817
tert-butyl N-[2-[(5-amino-6-propoxypyrimidin-4-yl)amino]ethyl]carbamate
CID 104932898
2-[2-[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]ethoxy]acetamide
CID 106241876
tert-butyl N-[3-[(5-amino-6-propoxypyrimidin-4-yl)amino]propyl]carbamate
CID 104932840
2-[2-[(5-amino-6-propoxy-2-pyridinyl)amino]ethoxy]acetamide
CID 106234525
4-N-(3-methylbut-2-enyl)-6-propoxypyrimidine-4,5-diamine
CID 106182344
3-amino-2-[2-(2-amino-2-oxoethoxy)ethylamino]pyridine-4-carboxylic acid
CID 114162790
2-[[(5-amino-6-propoxypyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106251360
3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
CID 106167427
4-N-(2-prop-2-enylsulfanylethyl)-6-propoxypyrimidine-4,5-diamine
CID 114187281
2-[2-[(6-ethylpyrimidin-4-yl)amino]ethoxy]acetamide
CID 106239747
4-N-[(2-methylcyclopropyl)methyl]-6-propoxypyrimidine-4,5-diamine
CID 113463651

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-amino-6-propoxypyrimidin-4-yl)amino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(5-amino-6-propoxypyrimidin-4-yl)amino]ethoxy]acetamide (CID 106234455) is 2-[2-[(5-amino-6-propoxypyrimidin-4-yl)amino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(5-amino-6-propoxypyrimidin-4-yl)amino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(5-amino-6-propoxypyrimidin-4-yl)amino]ethoxy]acetamide is CCCOc1ncnc(NCCOCC(N)=O)c1N.
What is the InChIKey of 2-[2-[(5-amino-6-propoxypyrimidin-4-yl)amino]ethoxy]acetamide?
The InChIKey is KYWZMHXRXBBAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3/c1-2-4-19-11-9(13)10(15-7-16-11)14-3-5-18-6-8(12)17/h7H,2-6,13H2,1H3,(H2,12,17)(H,14,15,16).
What are the key properties of 2-[2-[(5-amino-6-propoxypyrimidin-4-yl)amino]ethoxy]acetamide?
2-[2-[(5-amino-6-propoxypyrimidin-4-yl)amino]ethoxy]acetamide has a molecular weight of 269.30 g/mol, XLogP of -0.24, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-amino-6-propoxypyrimidin-4-yl)amino]ethoxy]acetamide is sourced from PubChem (CID 106234455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).