5-methoxy-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one

C11H19N3O4 — CID 136764974

IUPAC5-methoxy-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one
SMILESCOCCOCCCNc1nc[nH]c(=O)c1OC
InChIInChI=1S/C11H19N3O4/c1-16-6-7-18-5-3-4-12-10-9(17-2)11(15)14-8-13-10/h8H,3-7H2,1-2H3,(H2,12,13,14,15)
InChIKeyKEVWVPGDMHGPKW-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.24
Rot. Bonds9

About 5-methoxy-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one

5-methoxy-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one (PubChem CID 136764974) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-methoxy-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one
PubChem CID136764974
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name5-methoxy-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one
SMILESCOCCOCCCNc1nc[nH]c(=O)c1OC
InChIInChI=1S/C11H19N3O4/c1-16-6-7-18-5-3-4-12-10-9(17-2)11(15)14-8-13-10/h8H,3-7H2,1-2H3,(H2,12,13,14,15)
InChIKeyKEVWVPGDMHGPKW-UHFFFAOYSA-N
XLogP0.24
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.24
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

4-[2-(2,2-difluoroethoxy)ethylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136896829
5-methoxy-4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136975766
4-(butan-2-ylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136973502
5-methoxy-4-[methyl(propyl)amino]-1H-pyrimidin-6-one
CID 137009086
4-(2-ethoxyethoxy)-5-methoxy-1H-pyrimidin-6-one
CID 103240585
5-methoxy-4-(2-methoxyethoxy)-1H-pyrimidin-6-one
CID 103240664
5-methoxy-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one
CID 103240703
4-[3-(dimethylamino)propoxy]-5-methoxy-1H-pyrimidin-6-one
CID 103241440
5-methoxy-4-(2-propoxyethoxy)-1H-pyrimidin-6-one
CID 103241661
5-methoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one
CID 103241966
4-(1-ethoxypropan-2-yloxy)-5-methoxy-1H-pyrimidin-6-one
CID 103491878
5-methoxy-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 113718898

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one (CID 136764974) is 5-methoxy-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one is COCCOCCCNc1nc[nH]c(=O)c1OC.
What is the InChIKey of 5-methoxy-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one?
The InChIKey is KEVWVPGDMHGPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-16-6-7-18-5-3-4-12-10-9(17-2)11(15)14-8-13-10/h8H,3-7H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 5-methoxy-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one?
5-methoxy-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one has a molecular weight of 257.29 g/mol, XLogP of 0.24, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136764974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).