2-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-methylimidazol-1-yl]phenol

C16H17N5O — CID 23766969

IUPAC2-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-methylimidazol-1-yl]phenol
SMILESCc1cc(C)nc(Nc2ncc(C)n2-c2ccccc2O)n1
InChIInChI=1S/C16H17N5O/c1-10-8-11(2)19-15(18-10)20-16-17-9-12(3)21(16)13-6-4-5-7-14(13)22/h4-9,22H,1-3H3,(H,17,18,19,20)
InChIKeyFFRIRYJSJRXDMV-UHFFFAOYSA-N
MW295.35 g/mol
LogP3.04
Rot. Bonds3

About 2-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-methylimidazol-1-yl]phenol

2-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-methylimidazol-1-yl]phenol (PubChem CID 23766969) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-methylimidazol-1-yl]phenol.

Molecular Properties

Compound Name2-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-methylimidazol-1-yl]phenol
PubChem CID23766969
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name2-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-methylimidazol-1-yl]phenol
SMILESCc1cc(C)nc(Nc2ncc(C)n2-c2ccccc2O)n1
InChIInChI=1S/C16H17N5O/c1-10-8-11(2)19-15(18-10)20-16-17-9-12(3)21(16)13-6-4-5-7-14(13)22/h4-9,22H,1-3H3,(H,17,18,19,20)
InChIKeyFFRIRYJSJRXDMV-UHFFFAOYSA-N
XLogP3.04
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-methylimidazol-1-yl]phenol?
The IUPAC name of 2-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-methylimidazol-1-yl]phenol (CID 23766969) is 2-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-methylimidazol-1-yl]phenol.
What is the SMILES notation for 2-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-methylimidazol-1-yl]phenol?
The canonical SMILES for 2-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-methylimidazol-1-yl]phenol is Cc1cc(C)nc(Nc2ncc(C)n2-c2ccccc2O)n1.
What is the InChIKey of 2-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-methylimidazol-1-yl]phenol?
The InChIKey is FFRIRYJSJRXDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-10-8-11(2)19-15(18-10)20-16-17-9-12(3)21(16)13-6-4-5-7-14(13)22/h4-9,22H,1-3H3,(H,17,18,19,20).
What are the key properties of 2-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-methylimidazol-1-yl]phenol?
2-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-methylimidazol-1-yl]phenol has a molecular weight of 295.35 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-methylimidazol-1-yl]phenol is sourced from PubChem (CID 23766969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).