2-[[6-methyl-2-[(1-methylbenzimidazol-2-yl)amino]pyrimidin-4-yl]amino]ethanol

C15H18N6O — CID 117089895

IUPAC2-[[6-methyl-2-[(1-methylbenzimidazol-2-yl)amino]pyrimidin-4-yl]amino]ethanol
SMILESCc1cc(NCCO)nc(Nc2nc3ccccc3n2C)n1
InChIInChI=1S/C15H18N6O/c1-10-9-13(16-7-8-22)19-14(17-10)20-15-18-11-5-3-4-6-12(11)21(15)2/h3-6,9,22H,7-8H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyAKSOJGOWSTZVTQ-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.82
Rot. Bonds5

About 2-[[6-methyl-2-[(1-methylbenzimidazol-2-yl)amino]pyrimidin-4-yl]amino]ethanol

2-[[6-methyl-2-[(1-methylbenzimidazol-2-yl)amino]pyrimidin-4-yl]amino]ethanol (PubChem CID 117089895) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-[[6-methyl-2-[(1-methylbenzimidazol-2-yl)amino]pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[6-methyl-2-[(1-methylbenzimidazol-2-yl)amino]pyrimidin-4-yl]amino]ethanol
PubChem CID117089895
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name2-[[6-methyl-2-[(1-methylbenzimidazol-2-yl)amino]pyrimidin-4-yl]amino]ethanol
SMILESCc1cc(NCCO)nc(Nc2nc3ccccc3n2C)n1
InChIInChI=1S/C15H18N6O/c1-10-9-13(16-7-8-22)19-14(17-10)20-15-18-11-5-3-4-6-12(11)21(15)2/h3-6,9,22H,7-8H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyAKSOJGOWSTZVTQ-UHFFFAOYSA-N
XLogP1.82
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[6-methyl-2-[(1-methylbenzimidazol-2-yl)amino]pyrimidin-4-yl]amino]ethanol with MolForge

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Related Compounds

4,6-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine
CID 133346658
4,4-dimethyl-3-[(1-methylbenzimidazol-2-yl)amino]pentan-1-ol
CID 106350824
2-methyl-2-[(1-methylbenzimidazol-2-yl)amino]propan-1-ol
CID 923791
2-[(1-pentylbenzimidazol-2-yl)amino]ethanol
CID 4697809
2-[(1-methylbenzimidazol-2-yl)amino]ethanethiol
CID 21226750
6-N-[2-(4-methoxyphenyl)ethyl]-4-N-(1-methylbenzimidazol-2-yl)pyrimidine-2,4,6-triamine
CID 117093415
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
CID 91823103
N-(4,6-difluoro-2-pyridinyl)-1-methylbenzimidazol-2-amine
CID 20828301
2-[(1-benzylbenzimidazol-2-yl)amino]ethanol
CID 2772581
N-(4-chlorobutyl)-1-methylbenzimidazol-2-amine
CID 106845045
6-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-4-N-(1-methylbenzimidazol-2-yl)-1,3,5-triazine-2,4,6-triamine
CID 117081850
5-[(1-methylbenzimidazol-2-yl)amino]pentan-2-ol
CID 107269271

Frequently Asked Questions

What is the IUPAC name of 2-[[6-methyl-2-[(1-methylbenzimidazol-2-yl)amino]pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[6-methyl-2-[(1-methylbenzimidazol-2-yl)amino]pyrimidin-4-yl]amino]ethanol (CID 117089895) is 2-[[6-methyl-2-[(1-methylbenzimidazol-2-yl)amino]pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[6-methyl-2-[(1-methylbenzimidazol-2-yl)amino]pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[6-methyl-2-[(1-methylbenzimidazol-2-yl)amino]pyrimidin-4-yl]amino]ethanol is Cc1cc(NCCO)nc(Nc2nc3ccccc3n2C)n1.
What is the InChIKey of 2-[[6-methyl-2-[(1-methylbenzimidazol-2-yl)amino]pyrimidin-4-yl]amino]ethanol?
The InChIKey is AKSOJGOWSTZVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-10-9-13(16-7-8-22)19-14(17-10)20-15-18-11-5-3-4-6-12(11)21(15)2/h3-6,9,22H,7-8H2,1-2H3,(H2,16,17,18,19,20).
What are the key properties of 2-[[6-methyl-2-[(1-methylbenzimidazol-2-yl)amino]pyrimidin-4-yl]amino]ethanol?
2-[[6-methyl-2-[(1-methylbenzimidazol-2-yl)amino]pyrimidin-4-yl]amino]ethanol has a molecular weight of 298.35 g/mol, XLogP of 1.82, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-methyl-2-[(1-methylbenzimidazol-2-yl)amino]pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 117089895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).