2-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridin-3-ylethanol

C11H10Cl2N4O — CID 123675119

IUPAC2-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridin-3-ylethanol
SMILESOCC(Nc1nc(Cl)ncc1Cl)c1cccnc1
InChIInChI=1S/C11H10Cl2N4O/c12-8-5-15-11(13)17-10(8)16-9(6-18)7-2-1-3-14-4-7/h1-5,9,18H,6H2,(H,15,16,17)
InChIKeyBKQRGMLHXHMGHH-UHFFFAOYSA-N
MW285.13 g/mol
LogP2.32
Rot. Bonds4

About 2-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridin-3-ylethanol

2-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridin-3-ylethanol (PubChem CID 123675119) has the molecular formula C11H10Cl2N4O and a molecular weight of 285.13 g/mol. Its IUPAC name is 2-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridin-3-ylethanol.

Molecular Properties

Compound Name2-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridin-3-ylethanol
PubChem CID123675119
Molecular FormulaC11H10Cl2N4O
Molecular Weight285.13 g/mol
Exact Mass284.02
IUPAC Name2-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridin-3-ylethanol
SMILESOCC(Nc1nc(Cl)ncc1Cl)c1cccnc1
InChIInChI=1S/C11H10Cl2N4O/c12-8-5-15-11(13)17-10(8)16-9(6-18)7-2-1-3-14-4-7/h1-5,9,18H,6H2,(H,15,16,17)
InChIKeyBKQRGMLHXHMGHH-UHFFFAOYSA-N
XLogP2.32
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(2,5-dichloropyrimidin-4-yl)amino]-2-(3-fluorophenyl)ethanol
CID 89399630
2-[(2,5-dichloropyrimidin-4-yl)amino]-2-(4-fluorophenyl)ethanol
CID 89399641
2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2-pyridin-3-ylethanol
CID 78044737
(2R)-2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-2-phenylethanol
CID 135104502
(2S)-2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2-phenylethanol
CID 71239843
2,2-dipyridin-3-ylethanol
CID 57450821
5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(1-pyridin-3-ylpropyl)pyrimidine-2,4-diamine
CID 68603037
(2R)-2-[(2-chloro-5-nitropyrimidin-4-yl)amino]-2-(4-fluorophenyl)ethanol
CID 86630702
2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-2-(2-fluorophenyl)ethanol
CID 144516553
2-phenyl-2-(pyrazin-2-ylamino)ethanol
CID 63183280
2,5-dichloro-N-(2-phenylpropyl)pyrimidin-4-amine
CID 104592094
3-(methylamino)-3-pyridin-3-ylpropan-1-ol
CID 64815324

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridin-3-ylethanol?
The IUPAC name of 2-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridin-3-ylethanol (CID 123675119) is 2-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridin-3-ylethanol.
What is the SMILES notation for 2-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridin-3-ylethanol?
The canonical SMILES for 2-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridin-3-ylethanol is OCC(Nc1nc(Cl)ncc1Cl)c1cccnc1.
What is the InChIKey of 2-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridin-3-ylethanol?
The InChIKey is BKQRGMLHXHMGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4O/c12-8-5-15-11(13)17-10(8)16-9(6-18)7-2-1-3-14-4-7/h1-5,9,18H,6H2,(H,15,16,17).
What are the key properties of 2-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridin-3-ylethanol?
2-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridin-3-ylethanol has a molecular weight of 285.13 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridin-3-ylethanol is sourced from PubChem (CID 123675119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).