6-amino-2-methoxy-3-[2-(2-morpholin-4-ylethoxy)ethyl]pyrimidin-4-one

C13H22N4O4 — CID 91318119

IUPAC6-amino-2-methoxy-3-[2-(2-morpholin-4-ylethoxy)ethyl]pyrimidin-4-one
SMILESCOc1nc(N)cc(=O)n1CCOCCN1CCOCC1
InChIInChI=1S/C13H22N4O4/c1-19-13-15-11(14)10-12(18)17(13)5-9-21-8-4-16-2-6-20-7-3-16/h10H,2-9,14H2,1H3
InChIKeyIDOASRDJZYCPJR-UHFFFAOYSA-N
MW298.34 g/mol
LogP-0.82
Rot. Bonds7

About 6-amino-2-methoxy-3-[2-(2-morpholin-4-ylethoxy)ethyl]pyrimidin-4-one

6-amino-2-methoxy-3-[2-(2-morpholin-4-ylethoxy)ethyl]pyrimidin-4-one (PubChem CID 91318119) has the molecular formula C13H22N4O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 6-amino-2-methoxy-3-[2-(2-morpholin-4-ylethoxy)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-amino-2-methoxy-3-[2-(2-morpholin-4-ylethoxy)ethyl]pyrimidin-4-one
PubChem CID91318119
Molecular FormulaC13H22N4O4
Molecular Weight298.34 g/mol
Exact Mass298.16
IUPAC Name6-amino-2-methoxy-3-[2-(2-morpholin-4-ylethoxy)ethyl]pyrimidin-4-one
SMILESCOc1nc(N)cc(=O)n1CCOCCN1CCOCC1
InChIInChI=1S/C13H22N4O4/c1-19-13-15-11(14)10-12(18)17(13)5-9-21-8-4-16-2-6-20-7-3-16/h10H,2-9,14H2,1H3
InChIKeyIDOASRDJZYCPJR-UHFFFAOYSA-N
XLogP-0.82
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-morpholin-4-ylpyrimidin-4(3H)-one
CID 135512317
2-(dimethylamino)-6-morpholinopyrimidin-4(3H)-one
CID 136188794
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-methoxyethoxy)ethyl]-4-pyrimidone
CID 11492462
2,6-Diamino-3-(2-ethoxyethyl)pyrimidin-4-one
CID 23525147
2-Amino-6-(dimethylamino)-3-(2-ethoxyethyl)pyrimidin-4-one
CID 23525155
6-Amino-3-(2-ethoxyethyl)pyrimidin-4-one
CID 23525168
6-Amino-2-methyl-3-(2-propoxyethyl)pyrimidin-4-one
CID 59073654
6-Amino-2-methoxy-3-(ethoxycarbonylmethyl)-4-pyrimidone
CID 69967345
2,3-Dimethyl-6-morpholin-4-ylpyrimidin-4-one
CID 123808604
3-methyl-6-morpholinopyrimidin-4(3H)-one
CID 132451604

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methoxy-3-[2-(2-morpholin-4-ylethoxy)ethyl]pyrimidin-4-one?
The IUPAC name of 6-amino-2-methoxy-3-[2-(2-morpholin-4-ylethoxy)ethyl]pyrimidin-4-one (CID 91318119) is 6-amino-2-methoxy-3-[2-(2-morpholin-4-ylethoxy)ethyl]pyrimidin-4-one.
What is the SMILES notation for 6-amino-2-methoxy-3-[2-(2-morpholin-4-ylethoxy)ethyl]pyrimidin-4-one?
The canonical SMILES for 6-amino-2-methoxy-3-[2-(2-morpholin-4-ylethoxy)ethyl]pyrimidin-4-one is COc1nc(N)cc(=O)n1CCOCCN1CCOCC1.
What is the InChIKey of 6-amino-2-methoxy-3-[2-(2-morpholin-4-ylethoxy)ethyl]pyrimidin-4-one?
The InChIKey is IDOASRDJZYCPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O4/c1-19-13-15-11(14)10-12(18)17(13)5-9-21-8-4-16-2-6-20-7-3-16/h10H,2-9,14H2,1H3.
What are the key properties of 6-amino-2-methoxy-3-[2-(2-morpholin-4-ylethoxy)ethyl]pyrimidin-4-one?
6-amino-2-methoxy-3-[2-(2-morpholin-4-ylethoxy)ethyl]pyrimidin-4-one has a molecular weight of 298.34 g/mol, XLogP of -0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methoxy-3-[2-(2-morpholin-4-ylethoxy)ethyl]pyrimidin-4-one is sourced from PubChem (CID 91318119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).