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

C14H21N5O2 — CID 940082

IUPAC2-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol
SMILESCc1cc(N(CCO)CCO)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C14H21N5O2/c1-10-9-13(18(4-6-20)5-7-21)16-14(15-10)19-12(3)8-11(2)17-19/h8-9,20-21H,4-7H2,1-3H3
InChIKeyIYJHKUTZWIDRCZ-UHFFFAOYSA-N
MW291.36 g/mol
LogP0.38
Rot. Bonds6

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

2-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol (PubChem CID 940082) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 2-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol
PubChem CID940082
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name2-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol
SMILESCc1cc(N(CCO)CCO)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C14H21N5O2/c1-10-9-13(18(4-6-20)5-7-21)16-14(15-10)19-12(3)8-11(2)17-19/h8-9,20-21H,4-7H2,1-3H3
InChIKeyIYJHKUTZWIDRCZ-UHFFFAOYSA-N
XLogP0.38
TPSA87.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol (CID 940082) is 2-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol is Cc1cc(N(CCO)CCO)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of 2-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol?
The InChIKey is IYJHKUTZWIDRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-10-9-13(18(4-6-20)5-7-21)16-14(15-10)19-12(3)8-11(2)17-19/h8-9,20-21H,4-7H2,1-3H3.
What are the key properties of 2-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol?
2-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol has a molecular weight of 291.36 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 940082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).