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

C8H14N4O2 — CID 136974080

IUPAC5-amino-4-(2-ethoxyethylamino)-1H-pyrimidin-6-one
SMILESCCOCCNc1nc[nH]c(=O)c1N
InChIInChI=1S/C8H14N4O2/c1-2-14-4-3-10-7-6(9)8(13)12-5-11-7/h5H,2-4,9H2,1H3,(H2,10,11,12,13)
InChIKeyZVVOFOXOYQPTNJ-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.20
Rot. Bonds5

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

5-amino-4-(2-ethoxyethylamino)-1H-pyrimidin-6-one (PubChem CID 136974080) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 5-amino-4-(2-ethoxyethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(2-ethoxyethylamino)-1H-pyrimidin-6-one
PubChem CID136974080
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name5-amino-4-(2-ethoxyethylamino)-1H-pyrimidin-6-one
SMILESCCOCCNc1nc[nH]c(=O)c1N
InChIInChI=1S/C8H14N4O2/c1-2-14-4-3-10-7-6(9)8(13)12-5-11-7/h5H,2-4,9H2,1H3,(H2,10,11,12,13)
InChIKeyZVVOFOXOYQPTNJ-UHFFFAOYSA-N
XLogP-0.20
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-Amino-6-(ethylamino)-4(3h)-pyrimidinone
CID 135786481
2-amino-6-(ethoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 135546359
5-amino-4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136896830
5-amino-4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 137016443
5-amino-2-(2-methoxyethylamino)-1H-pyrimidin-6-one
CID 20498580
5-amino-2-(2-butoxyethylamino)-1H-pyrimidin-6-one
CID 20570041
5-amino-2-(2-ethoxyethylamino)-1H-pyrimidin-6-one
CID 20570042
5-amino-2-(2-propoxyethylamino)-1H-pyrimidin-6-one
CID 20570051
2,5-Diamino-6-((2-hydroxyethyl)amino)-3-methylpyrimidin-4(3H)-one
CID 70633393
2-Amino-9-(2-ethoxyethyl)-1,8-dihydropurin-8-id-6-one;ethane;yttrium
CID 135991965
4-amino-5-morpholin-4-yl-1H-pyrimidin-6-one
CID 136393190
2-amino-4-(2-methoxyethylamino)-5-nitroso-1H-pyrimidin-6-one
CID 136473819

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2-ethoxyethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(2-ethoxyethylamino)-1H-pyrimidin-6-one (CID 136974080) is 5-amino-4-(2-ethoxyethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(2-ethoxyethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(2-ethoxyethylamino)-1H-pyrimidin-6-one is CCOCCNc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-(2-ethoxyethylamino)-1H-pyrimidin-6-one?
The InChIKey is ZVVOFOXOYQPTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-2-14-4-3-10-7-6(9)8(13)12-5-11-7/h5H,2-4,9H2,1H3,(H2,10,11,12,13).
What are the key properties of 5-amino-4-(2-ethoxyethylamino)-1H-pyrimidin-6-one?
5-amino-4-(2-ethoxyethylamino)-1H-pyrimidin-6-one has a molecular weight of 198.23 g/mol, XLogP of -0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2-ethoxyethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136974080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).