2-[[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]-methylamino]ethanol

C18H21N5O — CID 7646802

IUPAC2-[[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]-methylamino]ethanol
SMILESCc1cc(C)n(-c2nc(-c3ccccc3)cc(N(C)CCO)n2)n1
InChIInChI=1S/C18H21N5O/c1-13-11-14(2)23(21-13)18-19-16(15-7-5-4-6-8-15)12-17(20-18)22(3)9-10-24/h4-8,11-12,24H,9-10H2,1-3H3
InChIKeyRNGZCXXRWLYMGX-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.37
Rot. Bonds5

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

2-[[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]-methylamino]ethanol (PubChem CID 7646802) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]-methylamino]ethanol
PubChem CID7646802
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name2-[[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]-methylamino]ethanol
SMILESCc1cc(C)n(-c2nc(-c3ccccc3)cc(N(C)CCO)n2)n1
InChIInChI=1S/C18H21N5O/c1-13-11-14(2)23(21-13)18-19-16(15-7-5-4-6-8-15)12-17(20-18)22(3)9-10-24/h4-8,11-12,24H,9-10H2,1-3H3
InChIKeyRNGZCXXRWLYMGX-UHFFFAOYSA-N
XLogP2.37
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]-methylamino]ethanol?
The IUPAC name of 2-[[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]-methylamino]ethanol (CID 7646802) is 2-[[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]-methylamino]ethanol.
What is the SMILES notation for 2-[[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]-methylamino]ethanol?
The canonical SMILES for 2-[[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]-methylamino]ethanol is Cc1cc(C)n(-c2nc(-c3ccccc3)cc(N(C)CCO)n2)n1.
What is the InChIKey of 2-[[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]-methylamino]ethanol?
The InChIKey is RNGZCXXRWLYMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-13-11-14(2)23(21-13)18-19-16(15-7-5-4-6-8-15)12-17(20-18)22(3)9-10-24/h4-8,11-12,24H,9-10H2,1-3H3.
What are the key properties of 2-[[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]-methylamino]ethanol?
2-[[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]-methylamino]ethanol has a molecular weight of 323.40 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]-methylamino]ethanol is sourced from PubChem (CID 7646802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).