2,4-dichloro-6-[(pyrimidin-5-ylamino)methyl]phenol

C11H9Cl2N3O — CID 107588088

IUPAC2,4-dichloro-6-[(pyrimidin-5-ylamino)methyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1CNc1cncnc1
InChIInChI=1S/C11H9Cl2N3O/c12-8-1-7(11(17)10(13)2-8)3-16-9-4-14-6-15-5-9/h1-2,4-6,16-17H,3H2
InChIKeySYXXXTOJQMASFY-UHFFFAOYSA-N
MW270.12 g/mol
LogP3.10
Rot. Bonds3

About 2,4-dichloro-6-[(pyrimidin-5-ylamino)methyl]phenol

2,4-dichloro-6-[(pyrimidin-5-ylamino)methyl]phenol (PubChem CID 107588088) has the molecular formula C11H9Cl2N3O and a molecular weight of 270.12 g/mol. Its IUPAC name is 2,4-dichloro-6-[(pyrimidin-5-ylamino)methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(pyrimidin-5-ylamino)methyl]phenol
PubChem CID107588088
Molecular FormulaC11H9Cl2N3O
Molecular Weight270.12 g/mol
Exact Mass269.01
IUPAC Name2,4-dichloro-6-[(pyrimidin-5-ylamino)methyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1CNc1cncnc1
InChIInChI=1S/C11H9Cl2N3O/c12-8-1-7(11(17)10(13)2-8)3-16-9-4-14-6-15-5-9/h1-2,4-6,16-17H,3H2
InChIKeySYXXXTOJQMASFY-UHFFFAOYSA-N
XLogP3.10
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-6-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]phenol
CID 55131244
2,4-dichloro-6-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]phenol
CID 43675306
2-[(3-bromo-5-methylanilino)methyl]-4,6-dichlorophenol
CID 107582433
2,4-dichloro-6-[(4-fluoro-3-methylanilino)methyl]phenol
CID 55119072
3-[(3,5-dichloro-2-hydroxyphenyl)methylamino]-5-hydroxybenzoic acid
CID 86294575
2,4-dichloro-6-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]phenol
CID 43678664
2,4-dichloro-6-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol
CID 114698958
2,4-dichloro-6-[(2-chloro-4-iodoanilino)methyl]phenol
CID 43733779
2,4-dichloro-6-[(2-chloro-4-fluoroanilino)methyl]phenol
CID 29079835
2,4-dichloro-6-[(2-chloro-5-fluoroanilino)methyl]phenol
CID 107527486
3-chloro-2-[(pyrimidin-5-ylamino)methyl]phenol
CID 107588343
2,4-dichloro-6-[(2,4-dimethylanilino)methyl]phenol
CID 28540840

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(pyrimidin-5-ylamino)methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(pyrimidin-5-ylamino)methyl]phenol (CID 107588088) is 2,4-dichloro-6-[(pyrimidin-5-ylamino)methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(pyrimidin-5-ylamino)methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(pyrimidin-5-ylamino)methyl]phenol is Oc1c(Cl)cc(Cl)cc1CNc1cncnc1.
What is the InChIKey of 2,4-dichloro-6-[(pyrimidin-5-ylamino)methyl]phenol?
The InChIKey is SYXXXTOJQMASFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O/c12-8-1-7(11(17)10(13)2-8)3-16-9-4-14-6-15-5-9/h1-2,4-6,16-17H,3H2.
What are the key properties of 2,4-dichloro-6-[(pyrimidin-5-ylamino)methyl]phenol?
2,4-dichloro-6-[(pyrimidin-5-ylamino)methyl]phenol has a molecular weight of 270.12 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(pyrimidin-5-ylamino)methyl]phenol is sourced from PubChem (CID 107588088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).