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

C11H16N6O — CID 74236325

IUPAC2-[[2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-4-yl]amino]ethanol
SMILESCc1n[nH]c(C)c1-c1cc(NCCO)nc(N)n1
InChIInChI=1S/C11H16N6O/c1-6-10(7(2)17-16-6)8-5-9(13-3-4-18)15-11(12)14-8/h5,18H,3-4H2,1-2H3,(H,16,17)(H3,12,13,14,15)
InChIKeyGZWQPKXNQVSZLH-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.47
Rot. Bonds4

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

2-[[2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-4-yl]amino]ethanol (PubChem CID 74236325) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-[[2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-4-yl]amino]ethanol
PubChem CID74236325
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name2-[[2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-4-yl]amino]ethanol
SMILESCc1n[nH]c(C)c1-c1cc(NCCO)nc(N)n1
InChIInChI=1S/C11H16N6O/c1-6-10(7(2)17-16-6)8-5-9(13-3-4-18)15-11(12)14-8/h5,18H,3-4H2,1-2H3,(H,16,17)(H3,12,13,14,15)
InChIKeyGZWQPKXNQVSZLH-UHFFFAOYSA-N
XLogP0.47
TPSA112.74 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-4-yl]amino]ethanol (CID 74236325) is 2-[[2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-4-yl]amino]ethanol is Cc1n[nH]c(C)c1-c1cc(NCCO)nc(N)n1.
What is the InChIKey of 2-[[2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-4-yl]amino]ethanol?
The InChIKey is GZWQPKXNQVSZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-6-10(7(2)17-16-6)8-5-9(13-3-4-18)15-11(12)14-8/h5,18H,3-4H2,1-2H3,(H,16,17)(H3,12,13,14,15).
What are the key properties of 2-[[2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-4-yl]amino]ethanol?
2-[[2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-4-yl]amino]ethanol has a molecular weight of 248.29 g/mol, XLogP of 0.47, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 74236325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).