[3-methyl-5-[[4-(2-phenylimidazol-1-yl)pyrimidin-2-yl]amino]phenyl]methanol

C21H19N5O — CID 5329428

IUPAC[3-methyl-5-[[4-(2-phenylimidazol-1-yl)pyrimidin-2-yl]amino]phenyl]methanol
SMILESCc1cc(CO)cc(Nc2nccc(-n3ccnc3-c3ccccc3)n2)c1
InChIInChI=1S/C21H19N5O/c1-15-11-16(14-27)13-18(12-15)24-21-23-8-7-19(25-21)26-10-9-22-20(26)17-5-3-2-4-6-17/h2-13,27H,14H2,1H3,(H,23,24,25)
InChIKeyPVNVVSOCNKJUKM-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.87
Rot. Bonds5

About [3-methyl-5-[[4-(2-phenylimidazol-1-yl)pyrimidin-2-yl]amino]phenyl]methanol

[3-methyl-5-[[4-(2-phenylimidazol-1-yl)pyrimidin-2-yl]amino]phenyl]methanol (PubChem CID 5329428) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is [3-methyl-5-[[4-(2-phenylimidazol-1-yl)pyrimidin-2-yl]amino]phenyl]methanol.

Molecular Properties

Compound Name[3-methyl-5-[[4-(2-phenylimidazol-1-yl)pyrimidin-2-yl]amino]phenyl]methanol
PubChem CID5329428
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name[3-methyl-5-[[4-(2-phenylimidazol-1-yl)pyrimidin-2-yl]amino]phenyl]methanol
SMILESCc1cc(CO)cc(Nc2nccc(-n3ccnc3-c3ccccc3)n2)c1
InChIInChI=1S/C21H19N5O/c1-15-11-16(14-27)13-18(12-15)24-21-23-8-7-19(25-21)26-10-9-22-20(26)17-5-3-2-4-6-17/h2-13,27H,14H2,1H3,(H,23,24,25)
InChIKeyPVNVVSOCNKJUKM-UHFFFAOYSA-N
XLogP3.87
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-[[4-(2-phenylimidazol-1-yl)pyrimidin-2-yl]amino]phenyl]methanol?
The IUPAC name of [3-methyl-5-[[4-(2-phenylimidazol-1-yl)pyrimidin-2-yl]amino]phenyl]methanol (CID 5329428) is [3-methyl-5-[[4-(2-phenylimidazol-1-yl)pyrimidin-2-yl]amino]phenyl]methanol.
What is the SMILES notation for [3-methyl-5-[[4-(2-phenylimidazol-1-yl)pyrimidin-2-yl]amino]phenyl]methanol?
The canonical SMILES for [3-methyl-5-[[4-(2-phenylimidazol-1-yl)pyrimidin-2-yl]amino]phenyl]methanol is Cc1cc(CO)cc(Nc2nccc(-n3ccnc3-c3ccccc3)n2)c1.
What is the InChIKey of [3-methyl-5-[[4-(2-phenylimidazol-1-yl)pyrimidin-2-yl]amino]phenyl]methanol?
The InChIKey is PVNVVSOCNKJUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-15-11-16(14-27)13-18(12-15)24-21-23-8-7-19(25-21)26-10-9-22-20(26)17-5-3-2-4-6-17/h2-13,27H,14H2,1H3,(H,23,24,25).
What are the key properties of [3-methyl-5-[[4-(2-phenylimidazol-1-yl)pyrimidin-2-yl]amino]phenyl]methanol?
[3-methyl-5-[[4-(2-phenylimidazol-1-yl)pyrimidin-2-yl]amino]phenyl]methanol has a molecular weight of 357.42 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-[[4-(2-phenylimidazol-1-yl)pyrimidin-2-yl]amino]phenyl]methanol is sourced from PubChem (CID 5329428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).