4-methoxy-2-(1-methylimidazol-4-yl)pyrimidine

C9H10N4O — CID 59830304

IUPAC4-methoxy-2-(1-methylimidazol-4-yl)pyrimidine
SMILESCOc1ccnc(-c2cn(C)cn2)n1
InChIInChI=1S/C9H10N4O/c1-13-5-7(11-6-13)9-10-4-3-8(12-9)14-2/h3-6H,1-2H3
InChIKeyKFBAGERMUFSBFS-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.89
Rot. Bonds2

About 4-methoxy-2-(1-methylimidazol-4-yl)pyrimidine

4-methoxy-2-(1-methylimidazol-4-yl)pyrimidine (PubChem CID 59830304) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 4-methoxy-2-(1-methylimidazol-4-yl)pyrimidine.

Molecular Properties

Compound Name4-methoxy-2-(1-methylimidazol-4-yl)pyrimidine
PubChem CID59830304
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name4-methoxy-2-(1-methylimidazol-4-yl)pyrimidine
SMILESCOc1ccnc(-c2cn(C)cn2)n1
InChIInChI=1S/C9H10N4O/c1-13-5-7(11-6-13)9-10-4-3-8(12-9)14-2/h3-6H,1-2H3
InChIKeyKFBAGERMUFSBFS-UHFFFAOYSA-N
XLogP0.89
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(1-methylimidazol-4-yl)pyrimidine?
The IUPAC name of 4-methoxy-2-(1-methylimidazol-4-yl)pyrimidine (CID 59830304) is 4-methoxy-2-(1-methylimidazol-4-yl)pyrimidine.
What is the SMILES notation for 4-methoxy-2-(1-methylimidazol-4-yl)pyrimidine?
The canonical SMILES for 4-methoxy-2-(1-methylimidazol-4-yl)pyrimidine is COc1ccnc(-c2cn(C)cn2)n1.
What is the InChIKey of 4-methoxy-2-(1-methylimidazol-4-yl)pyrimidine?
The InChIKey is KFBAGERMUFSBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-13-5-7(11-6-13)9-10-4-3-8(12-9)14-2/h3-6H,1-2H3.
What are the key properties of 4-methoxy-2-(1-methylimidazol-4-yl)pyrimidine?
4-methoxy-2-(1-methylimidazol-4-yl)pyrimidine has a molecular weight of 190.21 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(1-methylimidazol-4-yl)pyrimidine is sourced from PubChem (CID 59830304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).