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

C10H17N3O4 — CID 11492462

IUPAC6-amino-2-methoxy-3-[2-(2-methoxyethoxy)ethyl]pyrimidin-4-one
SMILESCOCCOCCn1c(OC)nc(N)cc1=O
InChIInChI=1S/C10H17N3O4/c1-15-5-6-17-4-3-13-9(14)7-8(11)12-10(13)16-2/h7H,3-6,11H2,1-2H3
InChIKeyPXCQSNGBFYZABW-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.50
Rot. Bonds7

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

6-amino-2-methoxy-3-[2-(2-methoxyethoxy)ethyl]pyrimidin-4-one (PubChem CID 11492462) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 6-amino-2-methoxy-3-[2-(2-methoxyethoxy)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-amino-2-methoxy-3-[2-(2-methoxyethoxy)ethyl]pyrimidin-4-one
PubChem CID11492462
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name6-amino-2-methoxy-3-[2-(2-methoxyethoxy)ethyl]pyrimidin-4-one
SMILESCOCCOCCn1c(OC)nc(N)cc1=O
InChIInChI=1S/C10H17N3O4/c1-15-5-6-17-4-3-13-9(14)7-8(11)12-10(13)16-2/h7H,3-6,11H2,1-2H3
InChIKeyPXCQSNGBFYZABW-UHFFFAOYSA-N
XLogP-0.50
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-Amino-2-methoxy-3-[2-(2-bromoethoxy)ethyl]-4-pyrimidone
CID 10214847
2,6-Diamino-3-(2-ethoxyethyl)pyrimidin-4-one
CID 23525147
2-Amino-6-(2-ethoxyethoxy)-3-(2-ethoxyethyl)pyrimidin-4-one
CID 23525151
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-3-[2-[di(propan-2-yl)phosphanylmethoxy]ethyl]pyrimidin-4-one
CID 69767204
6-Amino-2-methoxy-3-(ethoxycarbonylmethyl)-4-pyrimidone
CID 69967345
6-Amino-2-methoxy-3-[2-(2-morpholin-4-ylethoxy)ethyl]pyrimidin-4-one
CID 91318119
2-(4-Amino-2-methoxy-6-oxopyrimidin-1-yl)ethyl acetate
CID 11593793
6-Amino-2-methoxy-3-(3-morpholin-4-ylpropyl)pyrimidin-4-one
CID 11594190
6-Amino-2-methoxy-3-(2-morpholin-4-ylethyl)pyrimidin-4-one
CID 11615807

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methoxy-3-[2-(2-methoxyethoxy)ethyl]pyrimidin-4-one?
The IUPAC name of 6-amino-2-methoxy-3-[2-(2-methoxyethoxy)ethyl]pyrimidin-4-one (CID 11492462) is 6-amino-2-methoxy-3-[2-(2-methoxyethoxy)ethyl]pyrimidin-4-one.
What is the SMILES notation for 6-amino-2-methoxy-3-[2-(2-methoxyethoxy)ethyl]pyrimidin-4-one?
The canonical SMILES for 6-amino-2-methoxy-3-[2-(2-methoxyethoxy)ethyl]pyrimidin-4-one is COCCOCCn1c(OC)nc(N)cc1=O.
What is the InChIKey of 6-amino-2-methoxy-3-[2-(2-methoxyethoxy)ethyl]pyrimidin-4-one?
The InChIKey is PXCQSNGBFYZABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-15-5-6-17-4-3-13-9(14)7-8(11)12-10(13)16-2/h7H,3-6,11H2,1-2H3.
What are the key properties of 6-amino-2-methoxy-3-[2-(2-methoxyethoxy)ethyl]pyrimidin-4-one?
6-amino-2-methoxy-3-[2-(2-methoxyethoxy)ethyl]pyrimidin-4-one has a molecular weight of 243.26 g/mol, XLogP of -0.50, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methoxy-3-[2-(2-methoxyethoxy)ethyl]pyrimidin-4-one is sourced from PubChem (CID 11492462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).