2-(2-aminopyrimidin-4-yl)-4-chlorophenol

C10H8ClN3O — CID 135905112

IUPAC2-(2-aminopyrimidin-4-yl)-4-chlorophenol
SMILESNc1nccc(-c2cc(Cl)ccc2O)n1
InChIInChI=1S/C10H8ClN3O/c11-6-1-2-9(15)7(5-6)8-3-4-13-10(12)14-8/h1-5,15H,(H2,12,13,14)
InChIKeyDWDQNNFLFWSVJI-UHFFFAOYSA-N
MW221.65 g/mol
LogP2.08
Rot. Bonds1

About 2-(2-aminopyrimidin-4-yl)-4-chlorophenol

2-(2-aminopyrimidin-4-yl)-4-chlorophenol (PubChem CID 135905112) has the molecular formula C10H8ClN3O and a molecular weight of 221.65 g/mol. Its IUPAC name is 2-(2-aminopyrimidin-4-yl)-4-chlorophenol.

Molecular Properties

Compound Name2-(2-aminopyrimidin-4-yl)-4-chlorophenol
PubChem CID135905112
Molecular FormulaC10H8ClN3O
Molecular Weight221.65 g/mol
Exact Mass221.04
IUPAC Name2-(2-aminopyrimidin-4-yl)-4-chlorophenol
SMILESNc1nccc(-c2cc(Cl)ccc2O)n1
InChIInChI=1S/C10H8ClN3O/c11-6-1-2-9(15)7(5-6)8-3-4-13-10(12)14-8/h1-5,15H,(H2,12,13,14)
InChIKeyDWDQNNFLFWSVJI-UHFFFAOYSA-N
XLogP2.08
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.65
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminopyrimidin-4-yl)-4-(4-chloro-2-fluoroanilino)phenol
CID 142680353
4-chloro-2-(2-chloropyrimidin-4-yl)phenol
CID 135743684
4-(2,4-dichlorophenyl)pyrimidin-2-amine
CID 4773592
2-(2-aminopyrimidin-4-yl)-4-(4-hydroxyphenyl)phenol
CID 135482277
4-(4-amino-3-fluoroanilino)-2-(2-aminopyrimidin-4-yl)phenol
CID 164863272
2-(2-aminopyrimidin-4-yl)-4-(3-fluoro-4-methylanilino)phenol
CID 142680327
4-(4-amino-2-chlorophenyl)pyrimidin-2-amine
CID 118540127
6-(2-amino-3-hydroxy-4-pyridinyl)-2-(2-aminopyrimidin-4-yl)pyridin-3-ol
CID 137150134
[3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-[4-(dimethylamino)-2-fluorophenyl]methanone
CID 135517331
4-(4-chloro-3-pyridinyl)pyrimidin-2-amine
CID 130049220
4-chloro-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 137012886
2-[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]-4-chlorophenol
CID 137035550

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopyrimidin-4-yl)-4-chlorophenol?
The IUPAC name of 2-(2-aminopyrimidin-4-yl)-4-chlorophenol (CID 135905112) is 2-(2-aminopyrimidin-4-yl)-4-chlorophenol.
What is the SMILES notation for 2-(2-aminopyrimidin-4-yl)-4-chlorophenol?
The canonical SMILES for 2-(2-aminopyrimidin-4-yl)-4-chlorophenol is Nc1nccc(-c2cc(Cl)ccc2O)n1.
What is the InChIKey of 2-(2-aminopyrimidin-4-yl)-4-chlorophenol?
The InChIKey is DWDQNNFLFWSVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O/c11-6-1-2-9(15)7(5-6)8-3-4-13-10(12)14-8/h1-5,15H,(H2,12,13,14).
What are the key properties of 2-(2-aminopyrimidin-4-yl)-4-chlorophenol?
2-(2-aminopyrimidin-4-yl)-4-chlorophenol has a molecular weight of 221.65 g/mol, XLogP of 2.08, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopyrimidin-4-yl)-4-chlorophenol is sourced from PubChem (CID 135905112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).