1,2,2-tripyridin-3-yl-1-pyrimidin-4-ylethanol

C21H17N5O — CID 11559467

IUPAC1,2,2-tripyridin-3-yl-1-pyrimidin-4-ylethanol
SMILESOC(c1cccnc1)(c1ccncn1)C(c1cccnc1)c1cccnc1
InChIInChI=1S/C21H17N5O/c27-21(18-6-3-10-24-14-18,19-7-11-25-15-26-19)20(16-4-1-8-22-12-16)17-5-2-9-23-13-17/h1-15,20,27H
InChIKeyKPSRYCCAHMIBAD-UHFFFAOYSA-N
MW355.40 g/mol
LogP2.73
Rot. Bonds5

About 1,2,2-tripyridin-3-yl-1-pyrimidin-4-ylethanol

1,2,2-tripyridin-3-yl-1-pyrimidin-4-ylethanol (PubChem CID 11559467) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is 1,2,2-tripyridin-3-yl-1-pyrimidin-4-ylethanol.

Molecular Properties

Compound Name1,2,2-tripyridin-3-yl-1-pyrimidin-4-ylethanol
PubChem CID11559467
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC Name1,2,2-tripyridin-3-yl-1-pyrimidin-4-ylethanol
SMILESOC(c1cccnc1)(c1ccncn1)C(c1cccnc1)c1cccnc1
InChIInChI=1S/C21H17N5O/c27-21(18-6-3-10-24-14-18,19-7-11-25-15-26-19)20(16-4-1-8-22-12-16)17-5-2-9-23-13-17/h1-15,20,27H
InChIKeyKPSRYCCAHMIBAD-UHFFFAOYSA-N
XLogP2.73
TPSA84.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,2,2-tripyridin-3-yl-1-pyrimidin-4-ylethanol?
The IUPAC name of 1,2,2-tripyridin-3-yl-1-pyrimidin-4-ylethanol (CID 11559467) is 1,2,2-tripyridin-3-yl-1-pyrimidin-4-ylethanol.
What is the SMILES notation for 1,2,2-tripyridin-3-yl-1-pyrimidin-4-ylethanol?
The canonical SMILES for 1,2,2-tripyridin-3-yl-1-pyrimidin-4-ylethanol is OC(c1cccnc1)(c1ccncn1)C(c1cccnc1)c1cccnc1.
What is the InChIKey of 1,2,2-tripyridin-3-yl-1-pyrimidin-4-ylethanol?
The InChIKey is KPSRYCCAHMIBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O/c27-21(18-6-3-10-24-14-18,19-7-11-25-15-26-19)20(16-4-1-8-22-12-16)17-5-2-9-23-13-17/h1-15,20,27H.
What are the key properties of 1,2,2-tripyridin-3-yl-1-pyrimidin-4-ylethanol?
1,2,2-tripyridin-3-yl-1-pyrimidin-4-ylethanol has a molecular weight of 355.40 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-tripyridin-3-yl-1-pyrimidin-4-ylethanol is sourced from PubChem (CID 11559467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).