2-[[3-bromo-7-[[4-(methylamino)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol

C16H19BrN6O — CID 143090038

IUPAC2-[[3-bromo-7-[[4-(methylamino)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol
SMILESCNc1ccc(CNc2cc(NCCO)nc3c(Br)cnn23)cc1
InChIInChI=1S/C16H19BrN6O/c1-18-12-4-2-11(3-5-12)9-20-15-8-14(19-6-7-24)22-16-13(17)10-21-23(15)16/h2-5,8,10,18,20,24H,6-7,9H2,1H3,(H,19,22)
InChIKeyPKIKSSLBNONTSR-UHFFFAOYSA-N
MW391.27 g/mol
LogP2.55
Rot. Bonds7

About 2-[[3-bromo-7-[[4-(methylamino)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol

2-[[3-bromo-7-[[4-(methylamino)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol (PubChem CID 143090038) has the molecular formula C16H19BrN6O and a molecular weight of 391.27 g/mol. Its IUPAC name is 2-[[3-bromo-7-[[4-(methylamino)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[3-bromo-7-[[4-(methylamino)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol
PubChem CID143090038
Molecular FormulaC16H19BrN6O
Molecular Weight391.27 g/mol
Exact Mass390.08
IUPAC Name2-[[3-bromo-7-[[4-(methylamino)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol
SMILESCNc1ccc(CNc2cc(NCCO)nc3c(Br)cnn23)cc1
InChIInChI=1S/C16H19BrN6O/c1-18-12-4-2-11(3-5-12)9-20-15-8-14(19-6-7-24)22-16-13(17)10-21-23(15)16/h2-5,8,10,18,20,24H,6-7,9H2,1H3,(H,19,22)
InChIKeyPKIKSSLBNONTSR-UHFFFAOYSA-N
XLogP2.55
TPSA86.51 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 52.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[[3-bromo-7-[[4-(methylamino)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol with MolForge

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Related Compounds

2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol
CID 25125016
N-[4-[[[3-bromo-5-[[(2R)-1-hydroxypropan-2-yl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]-2-(dimethylamino)acetamide
CID 58830528
2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylpropan-1-ol
CID 11292240
N-[4-[[[3-bromo-5-[[(3R)-1-hydroxyhexan-3-yl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 159811627
N-[4-[[[3-bromo-5-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 58830526
N-[4-[[[3-bromo-5-[[(2S)-1-hydroxy-3-methylbut-3-en-2-yl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 147303253
(2R)-2-amino-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol
CID 70806600
N-[[4-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]methyl]acetamide
CID 21068332
2-[3-bromo-7-[[4-(trifluoromethyl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenol
CID 142871354
7-N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-N-cyclohexylpyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 163513531
3-bromo-5-N-cyclobutyl-7-N-[(1-hydroxypyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;ethane
CID 143090328
N-[(4-aminophenyl)methyl]-3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane
CID 142871130

Frequently Asked Questions

What is the IUPAC name of 2-[[3-bromo-7-[[4-(methylamino)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol?
The IUPAC name of 2-[[3-bromo-7-[[4-(methylamino)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol (CID 143090038) is 2-[[3-bromo-7-[[4-(methylamino)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol.
What is the SMILES notation for 2-[[3-bromo-7-[[4-(methylamino)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol?
The canonical SMILES for 2-[[3-bromo-7-[[4-(methylamino)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol is CNc1ccc(CNc2cc(NCCO)nc3c(Br)cnn23)cc1.
What is the InChIKey of 2-[[3-bromo-7-[[4-(methylamino)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol?
The InChIKey is PKIKSSLBNONTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN6O/c1-18-12-4-2-11(3-5-12)9-20-15-8-14(19-6-7-24)22-16-13(17)10-21-23(15)16/h2-5,8,10,18,20,24H,6-7,9H2,1H3,(H,19,22).
What are the key properties of 2-[[3-bromo-7-[[4-(methylamino)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol?
2-[[3-bromo-7-[[4-(methylamino)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol has a molecular weight of 391.27 g/mol, XLogP of 2.55, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-bromo-7-[[4-(methylamino)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol is sourced from PubChem (CID 143090038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).