4-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]phenol

C12H12ClN3O — CID 106196702

IUPAC4-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]phenol
SMILESCc1cnc(Cl)nc1NCc1ccc(O)cc1
InChIInChI=1S/C12H12ClN3O/c1-8-6-15-12(13)16-11(8)14-7-9-2-4-10(17)5-3-9/h2-6,17H,7H2,1H3,(H,14,15,16)
InChIKeyQGYNYISTYNPTEY-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.76
Rot. Bonds3

About 4-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]phenol

4-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]phenol (PubChem CID 106196702) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 4-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]phenol.

Molecular Properties

Compound Name4-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]phenol
PubChem CID106196702
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name4-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]phenol
SMILESCc1cnc(Cl)nc1NCc1ccc(O)cc1
InChIInChI=1S/C12H12ClN3O/c1-8-6-15-12(13)16-11(8)14-7-9-2-4-10(17)5-3-9/h2-6,17H,7H2,1H3,(H,14,15,16)
InChIKeyQGYNYISTYNPTEY-UHFFFAOYSA-N
XLogP2.76
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]phenol?
The IUPAC name of 4-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]phenol (CID 106196702) is 4-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]phenol.
What is the SMILES notation for 4-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]phenol?
The canonical SMILES for 4-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]phenol is Cc1cnc(Cl)nc1NCc1ccc(O)cc1.
What is the InChIKey of 4-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]phenol?
The InChIKey is QGYNYISTYNPTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-8-6-15-12(13)16-11(8)14-7-9-2-4-10(17)5-3-9/h2-6,17H,7H2,1H3,(H,14,15,16).
What are the key properties of 4-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]phenol?
4-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]phenol has a molecular weight of 249.70 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]phenol is sourced from PubChem (CID 106196702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).