4-(dimethoxymethyl)-2-ethoxy-6-(4-methylpiperazin-1-yl)pyrimidine

C14H24N4O3 — CID 138491809

IUPAC4-(dimethoxymethyl)-2-ethoxy-6-(4-methylpiperazin-1-yl)pyrimidine
SMILESCCOc1nc(C(OC)OC)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C14H24N4O3/c1-5-21-14-15-11(13(19-3)20-4)10-12(16-14)18-8-6-17(2)7-9-18/h10,13H,5-9H2,1-4H3
InChIKeyXJXKAMNKHAZLAJ-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.92
Rot. Bonds6

About 4-(dimethoxymethyl)-2-ethoxy-6-(4-methylpiperazin-1-yl)pyrimidine

4-(dimethoxymethyl)-2-ethoxy-6-(4-methylpiperazin-1-yl)pyrimidine (PubChem CID 138491809) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-(dimethoxymethyl)-2-ethoxy-6-(4-methylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-(dimethoxymethyl)-2-ethoxy-6-(4-methylpiperazin-1-yl)pyrimidine
PubChem CID138491809
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name4-(dimethoxymethyl)-2-ethoxy-6-(4-methylpiperazin-1-yl)pyrimidine
SMILESCCOc1nc(C(OC)OC)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C14H24N4O3/c1-5-21-14-15-11(13(19-3)20-4)10-12(16-14)18-8-6-17(2)7-9-18/h10,13H,5-9H2,1-4H3
InChIKeyXJXKAMNKHAZLAJ-UHFFFAOYSA-N
XLogP0.92
TPSA59.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethoxymethyl)-2-ethoxy-6-(4-methylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-(dimethoxymethyl)-2-ethoxy-6-(4-methylpiperazin-1-yl)pyrimidine (CID 138491809) is 4-(dimethoxymethyl)-2-ethoxy-6-(4-methylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-(dimethoxymethyl)-2-ethoxy-6-(4-methylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-(dimethoxymethyl)-2-ethoxy-6-(4-methylpiperazin-1-yl)pyrimidine is CCOc1nc(C(OC)OC)cc(N2CCN(C)CC2)n1.
What is the InChIKey of 4-(dimethoxymethyl)-2-ethoxy-6-(4-methylpiperazin-1-yl)pyrimidine?
The InChIKey is XJXKAMNKHAZLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-5-21-14-15-11(13(19-3)20-4)10-12(16-14)18-8-6-17(2)7-9-18/h10,13H,5-9H2,1-4H3.
What are the key properties of 4-(dimethoxymethyl)-2-ethoxy-6-(4-methylpiperazin-1-yl)pyrimidine?
4-(dimethoxymethyl)-2-ethoxy-6-(4-methylpiperazin-1-yl)pyrimidine has a molecular weight of 296.37 g/mol, XLogP of 0.92, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)-2-ethoxy-6-(4-methylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 138491809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).