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

C20H25N5O — CID 167988866

IUPAC2-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]-[(3-methylphenyl)methyl]amino]ethanol
SMILESCc1cccc(CN(CCO)c2cc(C)nc(-n3nc(C)cc3C)n2)c1
InChIInChI=1S/C20H25N5O/c1-14-6-5-7-18(10-14)13-24(8-9-26)19-12-15(2)21-20(22-19)25-17(4)11-16(3)23-25/h5-7,10-12,26H,8-9,13H2,1-4H3
InChIKeyANDHERGCRDNBKL-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.89
Rot. Bonds6

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

2-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]-[(3-methylphenyl)methyl]amino]ethanol (PubChem CID 167988866) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]-[(3-methylphenyl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]-[(3-methylphenyl)methyl]amino]ethanol
PubChem CID167988866
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name2-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]-[(3-methylphenyl)methyl]amino]ethanol
SMILESCc1cccc(CN(CCO)c2cc(C)nc(-n3nc(C)cc3C)n2)c1
InChIInChI=1S/C20H25N5O/c1-14-6-5-7-18(10-14)13-24(8-9-26)19-12-15(2)21-20(22-19)25-17(4)11-16(3)23-25/h5-7,10-12,26H,8-9,13H2,1-4H3
InChIKeyANDHERGCRDNBKL-UHFFFAOYSA-N
XLogP2.89
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.89
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-methylpyrimidin-4-yl]-[(3-methylphenyl)methyl]amino]ethanol?
The IUPAC name of 2-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]-[(3-methylphenyl)methyl]amino]ethanol (CID 167988866) is 2-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]-[(3-methylphenyl)methyl]amino]ethanol.
What is the SMILES notation for 2-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]-[(3-methylphenyl)methyl]amino]ethanol?
The canonical SMILES for 2-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]-[(3-methylphenyl)methyl]amino]ethanol is Cc1cccc(CN(CCO)c2cc(C)nc(-n3nc(C)cc3C)n2)c1.
What is the InChIKey of 2-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]-[(3-methylphenyl)methyl]amino]ethanol?
The InChIKey is ANDHERGCRDNBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-14-6-5-7-18(10-14)13-24(8-9-26)19-12-15(2)21-20(22-19)25-17(4)11-16(3)23-25/h5-7,10-12,26H,8-9,13H2,1-4H3.
What are the key properties of 2-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]-[(3-methylphenyl)methyl]amino]ethanol?
2-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]-[(3-methylphenyl)methyl]amino]ethanol has a molecular weight of 351.45 g/mol, XLogP of 2.89, 6 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-methylpyrimidin-4-yl]-[(3-methylphenyl)methyl]amino]ethanol is sourced from PubChem (CID 167988866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).