4,6-dimethoxy-2-[[2-[methoxy(propan-2-yloxy)methyl]-3-pyridinyl]oxy]pyrimidine

C16H21N3O5 — CID 15002861

IUPAC4,6-dimethoxy-2-[[2-[methoxy(propan-2-yloxy)methyl]-3-pyridinyl]oxy]pyrimidine
SMILESCOc1cc(OC)nc(Oc2cccnc2C(OC)OC(C)C)n1
InChIInChI=1S/C16H21N3O5/c1-10(2)23-15(22-5)14-11(7-6-8-17-14)24-16-18-12(20-3)9-13(19-16)21-4/h6-10,15H,1-5H3
InChIKeyXFDHRCRWSPPODE-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.75
Rot. Bonds8

About 4,6-dimethoxy-2-[[2-[methoxy(propan-2-yloxy)methyl]-3-pyridinyl]oxy]pyrimidine

4,6-dimethoxy-2-[[2-[methoxy(propan-2-yloxy)methyl]-3-pyridinyl]oxy]pyrimidine (PubChem CID 15002861) has the molecular formula C16H21N3O5 and a molecular weight of 335.36 g/mol. Its IUPAC name is 4,6-dimethoxy-2-[[2-[methoxy(propan-2-yloxy)methyl]-3-pyridinyl]oxy]pyrimidine.

Molecular Properties

Compound Name4,6-dimethoxy-2-[[2-[methoxy(propan-2-yloxy)methyl]-3-pyridinyl]oxy]pyrimidine
PubChem CID15002861
Molecular FormulaC16H21N3O5
Molecular Weight335.36 g/mol
Exact Mass335.15
IUPAC Name4,6-dimethoxy-2-[[2-[methoxy(propan-2-yloxy)methyl]-3-pyridinyl]oxy]pyrimidine
SMILESCOc1cc(OC)nc(Oc2cccnc2C(OC)OC(C)C)n1
InChIInChI=1S/C16H21N3O5/c1-10(2)23-15(22-5)14-11(7-6-8-17-14)24-16-18-12(20-3)9-13(19-16)21-4/h6-10,15H,1-5H3
InChIKeyXFDHRCRWSPPODE-UHFFFAOYSA-N
XLogP2.75
TPSA84.82 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 4,6-dimethoxy-2-[[2-[methoxy(propan-2-yloxy)methyl]-3-pyridinyl]oxy]pyrimidine?
The IUPAC name of 4,6-dimethoxy-2-[[2-[methoxy(propan-2-yloxy)methyl]-3-pyridinyl]oxy]pyrimidine (CID 15002861) is 4,6-dimethoxy-2-[[2-[methoxy(propan-2-yloxy)methyl]-3-pyridinyl]oxy]pyrimidine.
What is the SMILES notation for 4,6-dimethoxy-2-[[2-[methoxy(propan-2-yloxy)methyl]-3-pyridinyl]oxy]pyrimidine?
The canonical SMILES for 4,6-dimethoxy-2-[[2-[methoxy(propan-2-yloxy)methyl]-3-pyridinyl]oxy]pyrimidine is COc1cc(OC)nc(Oc2cccnc2C(OC)OC(C)C)n1.
What is the InChIKey of 4,6-dimethoxy-2-[[2-[methoxy(propan-2-yloxy)methyl]-3-pyridinyl]oxy]pyrimidine?
The InChIKey is XFDHRCRWSPPODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O5/c1-10(2)23-15(22-5)14-11(7-6-8-17-14)24-16-18-12(20-3)9-13(19-16)21-4/h6-10,15H,1-5H3.
What are the key properties of 4,6-dimethoxy-2-[[2-[methoxy(propan-2-yloxy)methyl]-3-pyridinyl]oxy]pyrimidine?
4,6-dimethoxy-2-[[2-[methoxy(propan-2-yloxy)methyl]-3-pyridinyl]oxy]pyrimidine has a molecular weight of 335.36 g/mol, XLogP of 2.75, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-2-[[2-[methoxy(propan-2-yloxy)methyl]-3-pyridinyl]oxy]pyrimidine is sourced from PubChem (CID 15002861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).