2-methoxy-5-[1-(3-methoxypropyl)imidazol-2-yl]pyrimidine

C12H16N4O2 — CID 56749148

IUPAC2-methoxy-5-[1-(3-methoxypropyl)imidazol-2-yl]pyrimidine
SMILESCOCCCn1ccnc1-c1cnc(OC)nc1
InChIInChI=1S/C12H16N4O2/c1-17-7-3-5-16-6-4-13-11(16)10-8-14-12(18-2)15-9-10/h4,6,8-9H,3,5,7H2,1-2H3
InChIKeyUYZVEUSXEZWTAH-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.39
Rot. Bonds6

About 2-methoxy-5-[1-(3-methoxypropyl)imidazol-2-yl]pyrimidine

2-methoxy-5-[1-(3-methoxypropyl)imidazol-2-yl]pyrimidine (PubChem CID 56749148) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-methoxy-5-[1-(3-methoxypropyl)imidazol-2-yl]pyrimidine.

Molecular Properties

Compound Name2-methoxy-5-[1-(3-methoxypropyl)imidazol-2-yl]pyrimidine
PubChem CID56749148
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name2-methoxy-5-[1-(3-methoxypropyl)imidazol-2-yl]pyrimidine
SMILESCOCCCn1ccnc1-c1cnc(OC)nc1
InChIInChI=1S/C12H16N4O2/c1-17-7-3-5-16-6-4-13-11(16)10-8-14-12(18-2)15-9-10/h4,6,8-9H,3,5,7H2,1-2H3
InChIKeyUYZVEUSXEZWTAH-UHFFFAOYSA-N
XLogP1.39
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[1-(3-methoxypropyl)imidazol-2-yl]pyrimidine?
The IUPAC name of 2-methoxy-5-[1-(3-methoxypropyl)imidazol-2-yl]pyrimidine (CID 56749148) is 2-methoxy-5-[1-(3-methoxypropyl)imidazol-2-yl]pyrimidine.
What is the SMILES notation for 2-methoxy-5-[1-(3-methoxypropyl)imidazol-2-yl]pyrimidine?
The canonical SMILES for 2-methoxy-5-[1-(3-methoxypropyl)imidazol-2-yl]pyrimidine is COCCCn1ccnc1-c1cnc(OC)nc1.
What is the InChIKey of 2-methoxy-5-[1-(3-methoxypropyl)imidazol-2-yl]pyrimidine?
The InChIKey is UYZVEUSXEZWTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-17-7-3-5-16-6-4-13-11(16)10-8-14-12(18-2)15-9-10/h4,6,8-9H,3,5,7H2,1-2H3.
What are the key properties of 2-methoxy-5-[1-(3-methoxypropyl)imidazol-2-yl]pyrimidine?
2-methoxy-5-[1-(3-methoxypropyl)imidazol-2-yl]pyrimidine has a molecular weight of 248.29 g/mol, XLogP of 1.39, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[1-(3-methoxypropyl)imidazol-2-yl]pyrimidine is sourced from PubChem (CID 56749148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).