1,3-dimethyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]pyrazolo[3,4-d]pyrimidine

C18H18N6O — CID 165415015

IUPAC1,3-dimethyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]pyrazolo[3,4-d]pyrimidine
SMILESCc1nn(C)c2nc(OCc3nc(-c4ccccc4)cn3C)ncc12
InChIInChI=1S/C18H18N6O/c1-12-14-9-19-18(21-17(14)24(3)22-12)25-11-16-20-15(10-23(16)2)13-7-5-4-6-8-13/h4-10H,11H2,1-3H3
InChIKeyXUDIQECECUILDL-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.65
Rot. Bonds4

About 1,3-dimethyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]pyrazolo[3,4-d]pyrimidine

1,3-dimethyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]pyrazolo[3,4-d]pyrimidine (PubChem CID 165415015) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is 1,3-dimethyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name1,3-dimethyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]pyrazolo[3,4-d]pyrimidine
PubChem CID165415015
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name1,3-dimethyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]pyrazolo[3,4-d]pyrimidine
SMILESCc1nn(C)c2nc(OCc3nc(-c4ccccc4)cn3C)ncc12
InChIInChI=1S/C18H18N6O/c1-12-14-9-19-18(21-17(14)24(3)22-12)25-11-16-20-15(10-23(16)2)13-7-5-4-6-8-13/h4-10H,11H2,1-3H3
InChIKeyXUDIQECECUILDL-UHFFFAOYSA-N
XLogP2.65
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 1,3-dimethyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]pyrazolo[3,4-d]pyrimidine (CID 165415015) is 1,3-dimethyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 1,3-dimethyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 1,3-dimethyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]pyrazolo[3,4-d]pyrimidine is Cc1nn(C)c2nc(OCc3nc(-c4ccccc4)cn3C)ncc12.
What is the InChIKey of 1,3-dimethyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]pyrazolo[3,4-d]pyrimidine?
The InChIKey is XUDIQECECUILDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-12-14-9-19-18(21-17(14)24(3)22-12)25-11-16-20-15(10-23(16)2)13-7-5-4-6-8-13/h4-10H,11H2,1-3H3.
What are the key properties of 1,3-dimethyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]pyrazolo[3,4-d]pyrimidine?
1,3-dimethyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]pyrazolo[3,4-d]pyrimidine has a molecular weight of 334.38 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 165415015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).