2,6-diamino-3-(2-ethoxyethyl)pyrimidin-4-one

C8H14N4O2 — CID 23525147

IUPAC2,6-diamino-3-(2-ethoxyethyl)pyrimidin-4-one
SMILESCCOCCn1c(N)nc(N)cc1=O
InChIInChI=1S/C8H14N4O2/c1-2-14-4-3-12-7(13)5-6(9)11-8(12)10/h5H,2-4,9H2,1H3,(H2,10,11)
InChIKeyULNAGSKBQPPTAX-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.56
Rot. Bonds4

About 2,6-diamino-3-(2-ethoxyethyl)pyrimidin-4-one

2,6-diamino-3-(2-ethoxyethyl)pyrimidin-4-one (PubChem CID 23525147) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 2,6-diamino-3-(2-ethoxyethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2,6-diamino-3-(2-ethoxyethyl)pyrimidin-4-one
PubChem CID23525147
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name2,6-diamino-3-(2-ethoxyethyl)pyrimidin-4-one
SMILESCCOCCn1c(N)nc(N)cc1=O
InChIInChI=1S/C8H14N4O2/c1-2-14-4-3-12-7(13)5-6(9)11-8(12)10/h5H,2-4,9H2,1H3,(H2,10,11)
InChIKeyULNAGSKBQPPTAX-UHFFFAOYSA-N
XLogP-0.56
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-Amino-4-(dimethylamino)-6-oxo-pyrimidin-1-yl]ethoxymethylphosphonic acid
CID 493052
2-amino-6-morpholin-4-ylpyrimidin-4(3H)-one
CID 135512317
2-(dimethylamino)-6-morpholinopyrimidin-4(3H)-one
CID 136188794
6-Amino-2-(morpholin-4-yl)pyrimidin-4(1H)-one
CID 135587491
1,3-Dimethyl-6-(morpholinomethyleneamino)pyrimidine-2,4-dione
CID 101563465
4-Morpholin-4-yl-6-oxopyrimidine-1-carboxamide
CID 123522893
6-Amino-2-methoxy-3-[2-(2-bromoethoxy)ethyl]-4-pyrimidone
CID 10214847
6-Amino-2-methoxy-3-[2-(2-methoxyethoxy)ethyl]-4-pyrimidone
CID 11492462
2-Amino-3-(2-ethoxyethyl)-6-methylpyrimidin-4-one
CID 23525149
2-Amino-6-(2-ethoxyethoxy)-3-(2-ethoxyethyl)pyrimidin-4-one
CID 23525151
2-Amino-6-chloro-3-(2-ethoxyethyl)pyrimidin-4-one
CID 23525153
2-Amino-6-(cyclopropylamino)-3-(2-ethoxyethyl)pyrimidin-4-one
CID 23525154

Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-3-(2-ethoxyethyl)pyrimidin-4-one?
The IUPAC name of 2,6-diamino-3-(2-ethoxyethyl)pyrimidin-4-one (CID 23525147) is 2,6-diamino-3-(2-ethoxyethyl)pyrimidin-4-one.
What is the SMILES notation for 2,6-diamino-3-(2-ethoxyethyl)pyrimidin-4-one?
The canonical SMILES for 2,6-diamino-3-(2-ethoxyethyl)pyrimidin-4-one is CCOCCn1c(N)nc(N)cc1=O.
What is the InChIKey of 2,6-diamino-3-(2-ethoxyethyl)pyrimidin-4-one?
The InChIKey is ULNAGSKBQPPTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-2-14-4-3-12-7(13)5-6(9)11-8(12)10/h5H,2-4,9H2,1H3,(H2,10,11).
What are the key properties of 2,6-diamino-3-(2-ethoxyethyl)pyrimidin-4-one?
2,6-diamino-3-(2-ethoxyethyl)pyrimidin-4-one has a molecular weight of 198.23 g/mol, XLogP of -0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-3-(2-ethoxyethyl)pyrimidin-4-one is sourced from PubChem (CID 23525147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).