2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethanol

C11H15N5O — CID 3831905

IUPAC2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethanol
SMILESCc1cc(C)n(-c2cc(NCCO)ncn2)n1
InChIInChI=1S/C11H15N5O/c1-8-5-9(2)16(15-8)11-6-10(12-3-4-17)13-7-14-11/h5-7,17H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyCHOPWGLTLBVBMS-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.68
Rot. Bonds4

About 2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethanol

2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethanol (PubChem CID 3831905) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethanol
PubChem CID3831905
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethanol
SMILESCc1cc(C)n(-c2cc(NCCO)ncn2)n1
InChIInChI=1S/C11H15N5O/c1-8-5-9(2)16(15-8)11-6-10(12-3-4-17)13-7-14-11/h5-7,17H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyCHOPWGLTLBVBMS-UHFFFAOYSA-N
XLogP0.68
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethanol (CID 3831905) is 2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethanol is Cc1cc(C)n(-c2cc(NCCO)ncn2)n1.
What is the InChIKey of 2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethanol?
The InChIKey is CHOPWGLTLBVBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-8-5-9(2)16(15-8)11-6-10(12-3-4-17)13-7-14-11/h5-7,17H,3-4H2,1-2H3,(H,12,13,14).
What are the key properties of 2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethanol?
2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethanol has a molecular weight of 233.27 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 3831905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).