2-[(4-chloropyrimidin-2-yl)-methylamino]ethanol

C7H10ClN3O — CID 86626967

IUPAC2-[(4-chloropyrimidin-2-yl)-methylamino]ethanol
SMILESCN(CCO)c1nccc(Cl)n1
InChIInChI=1S/C7H10ClN3O/c1-11(4-5-12)7-9-3-2-6(8)10-7/h2-3,12H,4-5H2,1H3
InChIKeyCQIWUUIQVDIFNS-UHFFFAOYSA-N
MW187.63 g/mol
LogP0.56
Rot. Bonds3

About 2-[(4-chloropyrimidin-2-yl)-methylamino]ethanol

2-[(4-chloropyrimidin-2-yl)-methylamino]ethanol (PubChem CID 86626967) has the molecular formula C7H10ClN3O and a molecular weight of 187.63 g/mol. Its IUPAC name is 2-[(4-chloropyrimidin-2-yl)-methylamino]ethanol.

Molecular Properties

Compound Name2-[(4-chloropyrimidin-2-yl)-methylamino]ethanol
PubChem CID86626967
Molecular FormulaC7H10ClN3O
Molecular Weight187.63 g/mol
Exact Mass187.05
IUPAC Name2-[(4-chloropyrimidin-2-yl)-methylamino]ethanol
SMILESCN(CCO)c1nccc(Cl)n1
InChIInChI=1S/C7H10ClN3O/c1-11(4-5-12)7-9-3-2-6(8)10-7/h2-3,12H,4-5H2,1H3
InChIKeyCQIWUUIQVDIFNS-UHFFFAOYSA-N
XLogP0.56
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloropyrimidin-2-yl)-methylamino]ethanol?
The IUPAC name of 2-[(4-chloropyrimidin-2-yl)-methylamino]ethanol (CID 86626967) is 2-[(4-chloropyrimidin-2-yl)-methylamino]ethanol.
What is the SMILES notation for 2-[(4-chloropyrimidin-2-yl)-methylamino]ethanol?
The canonical SMILES for 2-[(4-chloropyrimidin-2-yl)-methylamino]ethanol is CN(CCO)c1nccc(Cl)n1.
What is the InChIKey of 2-[(4-chloropyrimidin-2-yl)-methylamino]ethanol?
The InChIKey is CQIWUUIQVDIFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O/c1-11(4-5-12)7-9-3-2-6(8)10-7/h2-3,12H,4-5H2,1H3.
What are the key properties of 2-[(4-chloropyrimidin-2-yl)-methylamino]ethanol?
2-[(4-chloropyrimidin-2-yl)-methylamino]ethanol has a molecular weight of 187.63 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloropyrimidin-2-yl)-methylamino]ethanol is sourced from PubChem (CID 86626967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).