5-amino-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one

C8H14N4O3 — CID 136713917

IUPAC5-amino-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one
SMILESCOC(CNc1nc[nH]c(=O)c1N)OC
InChIInChI=1S/C8H14N4O3/c1-14-5(15-2)3-10-7-6(9)8(13)12-4-11-7/h4-5H,3,9H2,1-2H3,(H2,10,11,12,13)
InChIKeyGLNZJLZQFPROLI-UHFFFAOYSA-N
MW214.23 g/mol
LogP-0.62
Rot. Bonds5

About 5-amino-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one

5-amino-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one (PubChem CID 136713917) has the molecular formula C8H14N4O3 and a molecular weight of 214.23 g/mol. Its IUPAC name is 5-amino-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one
PubChem CID136713917
Molecular FormulaC8H14N4O3
Molecular Weight214.23 g/mol
Exact Mass214.11
IUPAC Name5-amino-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one
SMILESCOC(CNc1nc[nH]c(=O)c1N)OC
InChIInChI=1S/C8H14N4O3/c1-14-5(15-2)3-10-7-6(9)8(13)12-4-11-7/h4-5H,3,9H2,1-2H3,(H2,10,11,12,13)
InChIKeyGLNZJLZQFPROLI-UHFFFAOYSA-N
XLogP-0.62
TPSA102.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-amino-4-[bis(2-methoxyethyl)amino]-1H-pyrimidin-6-one
CID 135568296
5-amino-4-(3-methoxypropylamino)-1H-pyrimidin-6-one
CID 135568311
5-amino-4-(2-methoxyethylamino)-1H-pyrimidin-6-one
CID 135575674
5-amino-4-(1-methoxypropan-2-ylamino)-1H-pyrimidin-6-one
CID 135575729
6-((2,2-Dimethoxyethyl)amino)pyrimidin-4-ol
CID 136713910
4-(2,2-dimethoxyethylamino)-5-iodo-1H-pyrimidin-6-one
CID 136713913
2-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide
CID 136805707
5-amino-4-(2-methoxypropylamino)-1H-pyrimidin-6-one
CID 136820289
5-amino-4-[(1-amino-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one
CID 136870578
5-amino-4-[3-aminopropyl(2-methoxyethyl)amino]-1H-pyrimidin-6-one
CID 136972825
methyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetate
CID 136973718
methyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136973957

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one (CID 136713917) is 5-amino-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one is COC(CNc1nc[nH]c(=O)c1N)OC.
What is the InChIKey of 5-amino-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one?
The InChIKey is GLNZJLZQFPROLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3/c1-14-5(15-2)3-10-7-6(9)8(13)12-4-11-7/h4-5H,3,9H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 5-amino-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one?
5-amino-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one has a molecular weight of 214.23 g/mol, XLogP of -0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136713917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).