4-[(5-chloropyrimidin-2-yl)-methylamino]phenol

C11H10ClN3O — CID 70589004

IUPAC4-[(5-chloropyrimidin-2-yl)-methylamino]phenol
SMILESCN(c1ccc(O)cc1)c1ncc(Cl)cn1
InChIInChI=1S/C11H10ClN3O/c1-15(9-2-4-10(16)5-3-9)11-13-6-8(12)7-14-11/h2-7,16H,1H3
InChIKeyRSEUWQXITZQIFQ-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.60
Rot. Bonds2

About 4-[(5-chloropyrimidin-2-yl)-methylamino]phenol

4-[(5-chloropyrimidin-2-yl)-methylamino]phenol (PubChem CID 70589004) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is 4-[(5-chloropyrimidin-2-yl)-methylamino]phenol.

Molecular Properties

Compound Name4-[(5-chloropyrimidin-2-yl)-methylamino]phenol
PubChem CID70589004
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name4-[(5-chloropyrimidin-2-yl)-methylamino]phenol
SMILESCN(c1ccc(O)cc1)c1ncc(Cl)cn1
InChIInChI=1S/C11H10ClN3O/c1-15(9-2-4-10(16)5-3-9)11-13-6-8(12)7-14-11/h2-7,16H,1H3
InChIKeyRSEUWQXITZQIFQ-UHFFFAOYSA-N
XLogP2.60
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloropyrimidin-2-yl)-methylamino]phenol?
The IUPAC name of 4-[(5-chloropyrimidin-2-yl)-methylamino]phenol (CID 70589004) is 4-[(5-chloropyrimidin-2-yl)-methylamino]phenol.
What is the SMILES notation for 4-[(5-chloropyrimidin-2-yl)-methylamino]phenol?
The canonical SMILES for 4-[(5-chloropyrimidin-2-yl)-methylamino]phenol is CN(c1ccc(O)cc1)c1ncc(Cl)cn1.
What is the InChIKey of 4-[(5-chloropyrimidin-2-yl)-methylamino]phenol?
The InChIKey is RSEUWQXITZQIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c1-15(9-2-4-10(16)5-3-9)11-13-6-8(12)7-14-11/h2-7,16H,1H3.
What are the key properties of 4-[(5-chloropyrimidin-2-yl)-methylamino]phenol?
4-[(5-chloropyrimidin-2-yl)-methylamino]phenol has a molecular weight of 235.67 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloropyrimidin-2-yl)-methylamino]phenol is sourced from PubChem (CID 70589004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).