2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol

C20H18N4O — CID 15990343

IUPAC2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol
SMILESCc1cccc(C)c1Nc1c(-c2ccccc2O)nc2ncccn12
InChIInChI=1S/C20H18N4O/c1-13-7-5-8-14(2)17(13)22-19-18(15-9-3-4-10-16(15)25)23-20-21-11-6-12-24(19)20/h3-12,22,25H,1-2H3
InChIKeyUHVZCRPMVVRTEY-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.46
Rot. Bonds3

About 2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol

2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol (PubChem CID 15990343) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol
PubChem CID15990343
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol
SMILESCc1cccc(C)c1Nc1c(-c2ccccc2O)nc2ncccn12
InChIInChI=1S/C20H18N4O/c1-13-7-5-8-14(2)17(13)22-19-18(15-9-3-4-10-16(15)25)23-20-21-11-6-12-24(19)20/h3-12,22,25H,1-2H3
InChIKeyUHVZCRPMVVRTEY-UHFFFAOYSA-N
XLogP4.46
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

RP107
CID 448912
4-methyl-2-{[(1-propyl-1H-benzimidazol-2-yl)amino]methyl}phenol
CID 715143
(3-Methyl-5-{[4-(2-phenyl-1h-imidazol-1-yl)pyrimidin-2-yl]amino}phenyl)methanol
CID 5329428
3-[8-Amino-1-[4-(1-hydroxy-1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
CID 44468332
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 28
CID 135434952
2-[[(1-Prop-2-enylbenzimidazol-2-yl)amino]methyl]phenol
CID 890291
4-Methyl-2-[[(1-propan-2-ylbenzimidazol-2-yl)amino]methyl]phenol
CID 930436
2-(3-Benzylimidazol-4-yl)phenol
CID 2806275
2-(((1-(2-(piperidin-1-yl)ethyl)-1H-benzo[d]imidazol-2-yl)amino)methyl)phenol
CID 1090110
Changrolin
CID 123775
4-{2-amino-1-methyl-1H-imidazo[4,5-b]pyridin-6-yl}phenol
CID 15897928
3-{[2-(1H-Benzimidazol-1-YL)-6-{[2-(diethylamino)ethyl]amino}pyrimidin-4-YL]amino}-4-methylphenol
CID 9547983

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol?
The IUPAC name of 2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol (CID 15990343) is 2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol.
What is the SMILES notation for 2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol?
The canonical SMILES for 2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol is Cc1cccc(C)c1Nc1c(-c2ccccc2O)nc2ncccn12.
What is the InChIKey of 2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol?
The InChIKey is UHVZCRPMVVRTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-13-7-5-8-14(2)17(13)22-19-18(15-9-3-4-10-16(15)25)23-20-21-11-6-12-24(19)20/h3-12,22,25H,1-2H3.
What are the key properties of 2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol?
2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol has a molecular weight of 330.39 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol is sourced from PubChem (CID 15990343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).