5-amino-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one

C11H19N3O5 — CID 103241963

IUPAC5-amino-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one
SMILESCOCCOCCOCCOc1nc[nH]c(=O)c1N
InChIInChI=1S/C11H19N3O5/c1-16-2-3-17-4-5-18-6-7-19-11-9(12)10(15)13-8-14-11/h8H,2-7,12H2,1H3,(H,13,14,15)
InChIKeySKMKUEKGHAWFPE-UHFFFAOYSA-N
MW273.29 g/mol
LogP-0.59
Rot. Bonds10

About 5-amino-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one

5-amino-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one (PubChem CID 103241963) has the molecular formula C11H19N3O5 and a molecular weight of 273.29 g/mol. Its IUPAC name is 5-amino-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one
PubChem CID103241963
Molecular FormulaC11H19N3O5
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC Name5-amino-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one
SMILESCOCCOCCOCCOc1nc[nH]c(=O)c1N
InChIInChI=1S/C11H19N3O5/c1-16-2-3-17-4-5-18-6-7-19-11-9(12)10(15)13-8-14-11/h8H,2-7,12H2,1H3,(H,13,14,15)
InChIKeySKMKUEKGHAWFPE-UHFFFAOYSA-N
XLogP-0.59
TPSA108.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyrimidin-5-amine
CID 104559912
5-amino-4-[2-methoxyethyl(methyl)amino]-1H-pyrimidin-6-one
CID 137009396
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]acetic acid
CID 136958649
6-methoxy-7-[2-(2-methoxyethoxy)ethoxy]-3H-quinazolin-4-one
CID 135742285
3,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]cyclobut-3-ene-1,2-dione
CID 169054321
2-chloro-6-[2-(2-methoxyethoxy)ethoxy]-7H-purine
CID 104787050
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 137009322
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-5-methoxypentanoic acid
CID 136959366
methyl 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)sulfanyl]butanoate
CID 114574111
5-amino-4-[(3-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136975203
6,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one;ethane
CID 143274794
5-amino-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one
CID 114586350

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one (CID 103241963) is 5-amino-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one is COCCOCCOCCOc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one?
The InChIKey is SKMKUEKGHAWFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O5/c1-16-2-3-17-4-5-18-6-7-19-11-9(12)10(15)13-8-14-11/h8H,2-7,12H2,1H3,(H,13,14,15).
What are the key properties of 5-amino-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one?
5-amino-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one has a molecular weight of 273.29 g/mol, XLogP of -0.59, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 103241963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).