2-(methoxymethyl)-4-[(6-methyl-3-pyridinyl)oxy]pyrimidine

C12H13N3O2 — CID 154747152

IUPAC2-(methoxymethyl)-4-[(6-methyl-3-pyridinyl)oxy]pyrimidine
SMILESCOCc1nccc(Oc2ccc(C)nc2)n1
InChIInChI=1S/C12H13N3O2/c1-9-3-4-10(7-14-9)17-12-5-6-13-11(15-12)8-16-2/h3-7H,8H2,1-2H3
InChIKeyDGEVHXOCIBWCFI-UHFFFAOYSA-N
MW231.26 g/mol
LogP2.12
Rot. Bonds4

About 2-(methoxymethyl)-4-[(6-methyl-3-pyridinyl)oxy]pyrimidine

2-(methoxymethyl)-4-[(6-methyl-3-pyridinyl)oxy]pyrimidine (PubChem CID 154747152) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-[(6-methyl-3-pyridinyl)oxy]pyrimidine.

Molecular Properties

Compound Name2-(methoxymethyl)-4-[(6-methyl-3-pyridinyl)oxy]pyrimidine
PubChem CID154747152
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Name2-(methoxymethyl)-4-[(6-methyl-3-pyridinyl)oxy]pyrimidine
SMILESCOCc1nccc(Oc2ccc(C)nc2)n1
InChIInChI=1S/C12H13N3O2/c1-9-3-4-10(7-14-9)17-12-5-6-13-11(15-12)8-16-2/h3-7H,8H2,1-2H3
InChIKeyDGEVHXOCIBWCFI-UHFFFAOYSA-N
XLogP2.12
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-[(6-methyl-3-pyridinyl)oxy]pyrimidine?
The IUPAC name of 2-(methoxymethyl)-4-[(6-methyl-3-pyridinyl)oxy]pyrimidine (CID 154747152) is 2-(methoxymethyl)-4-[(6-methyl-3-pyridinyl)oxy]pyrimidine.
What is the SMILES notation for 2-(methoxymethyl)-4-[(6-methyl-3-pyridinyl)oxy]pyrimidine?
The canonical SMILES for 2-(methoxymethyl)-4-[(6-methyl-3-pyridinyl)oxy]pyrimidine is COCc1nccc(Oc2ccc(C)nc2)n1.
What is the InChIKey of 2-(methoxymethyl)-4-[(6-methyl-3-pyridinyl)oxy]pyrimidine?
The InChIKey is DGEVHXOCIBWCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-9-3-4-10(7-14-9)17-12-5-6-13-11(15-12)8-16-2/h3-7H,8H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-4-[(6-methyl-3-pyridinyl)oxy]pyrimidine?
2-(methoxymethyl)-4-[(6-methyl-3-pyridinyl)oxy]pyrimidine has a molecular weight of 231.26 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-[(6-methyl-3-pyridinyl)oxy]pyrimidine is sourced from PubChem (CID 154747152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).