2-[(4-methoxyphenoxy)methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine

C16H17N3O2 — CID 4169250

IUPAC2-[(4-methoxyphenoxy)methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine
SMILESCOc1ccc(OCc2cn3c(C)cc(C)nc3n2)cc1
InChIInChI=1S/C16H17N3O2/c1-11-8-12(2)19-9-13(18-16(19)17-11)10-21-15-6-4-14(20-3)5-7-15/h4-9H,10H2,1-3H3
InChIKeyAOOSMNDXICDXKO-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.93
Rot. Bonds4

About 2-[(4-methoxyphenoxy)methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine

2-[(4-methoxyphenoxy)methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine (PubChem CID 4169250) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[(4-methoxyphenoxy)methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-[(4-methoxyphenoxy)methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine
PubChem CID4169250
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-[(4-methoxyphenoxy)methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine
SMILESCOc1ccc(OCc2cn3c(C)cc(C)nc3n2)cc1
InChIInChI=1S/C16H17N3O2/c1-11-8-12(2)19-9-13(18-16(19)17-11)10-21-15-6-4-14(20-3)5-7-15/h4-9H,10H2,1-3H3
InChIKeyAOOSMNDXICDXKO-UHFFFAOYSA-N
XLogP2.93
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenoxy)methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine?
The IUPAC name of 2-[(4-methoxyphenoxy)methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine (CID 4169250) is 2-[(4-methoxyphenoxy)methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-[(4-methoxyphenoxy)methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-[(4-methoxyphenoxy)methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine is COc1ccc(OCc2cn3c(C)cc(C)nc3n2)cc1.
What is the InChIKey of 2-[(4-methoxyphenoxy)methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine?
The InChIKey is AOOSMNDXICDXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11-8-12(2)19-9-13(18-16(19)17-11)10-21-15-6-4-14(20-3)5-7-15/h4-9H,10H2,1-3H3.
What are the key properties of 2-[(4-methoxyphenoxy)methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine?
2-[(4-methoxyphenoxy)methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine has a molecular weight of 283.33 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenoxy)methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 4169250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).