4-Chloro-6-(4-chlorophenoxy)pyrimidin-2-amine

C10H7Cl2N3O — CID 389506

IUPAC4-chloro-6-(4-chlorophenoxy)pyrimidin-2-amine
SMILESC1=CC(=CC=C1OC2=CC(=NC(=N2)N)Cl)Cl
InChIInChI=1S/C10H7Cl2N3O/c11-6-1-3-7(4-2-6)16-9-5-8(12)14-10(13)15-9/h1-5H,(H2,13,14,15)
InChIKeyJDTQJRVXTNCSJN-UHFFFAOYSA-N
MW256.08 g/mol
LogP3.30
Rot. Bonds2

About 4-Chloro-6-(4-chlorophenoxy)pyrimidin-2-amine

4-Chloro-6-(4-chlorophenoxy)pyrimidin-2-amine (PubChem CID 389506) has the molecular formula C10H7Cl2N3O and a molecular weight of 256.08 g/mol. Its IUPAC name is 4-chloro-6-(4-chlorophenoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4-Chloro-6-(4-chlorophenoxy)pyrimidin-2-amine
PubChem CID389506
Molecular FormulaC10H7Cl2N3O
Molecular Weight256.08 g/mol
Exact Mass255.00
IUPAC Name4-chloro-6-(4-chlorophenoxy)pyrimidin-2-amine
SMILESC1=CC(=CC=C1OC2=CC(=NC(=N2)N)Cl)Cl
InChIInChI=1S/C10H7Cl2N3O/c11-6-1-3-7(4-2-6)16-9-5-8(12)14-10(13)15-9/h1-5H,(H2,13,14,15)
InChIKeyJDTQJRVXTNCSJN-UHFFFAOYSA-N
XLogP3.30
TPSA61.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity224

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.08
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,4-Dichlorophenoxy)pyrimidine-2,4-diamine
CID 820043
4-Chloro-6-(2-fluorophenoxy)pyrimidin-2-amine
CID 683987
4-Chloro-6-(3-methoxyphenoxy)pyrimidin-2-amine
CID 748222
4-N-methyl-6-phenoxypyrimidine-2,4-diamine
CID 80869080
4-Methoxy-6-phenoxypyrimidin-2-amine
CID 684938
Pyrimidine, 4-chloro-6-(4-chlorophenoxy)-
CID 3079025
2-Amino-4-(p-ethylphenoxy)-6-chloropyrimidine
CID 815741
4-(4-chlorophenoxy)-N-isopropyl-6-(trifluoromethyl)-2-pyrimidinamine
CID 1483251
4-Fluoro-6-(4-methoxyphenoxy)-2-pyrimidinamine
CID 779695
2-Chloro-4-fluorophenyl 2-chloro-4-pyrimidinyl ether
CID 1811330
4-Chloro-6-(4-propylphenoxy)pyrimidin-2-amine
CID 702419
2-Amino-4-phenoxy-6-methylpyrimidine
CID 676911

Frequently Asked Questions

What is the IUPAC name of 4-Chloro-6-(4-chlorophenoxy)pyrimidin-2-amine?
The IUPAC name of 4-Chloro-6-(4-chlorophenoxy)pyrimidin-2-amine (CID 389506) is 4-chloro-6-(4-chlorophenoxy)pyrimidin-2-amine.
What is the SMILES notation for 4-Chloro-6-(4-chlorophenoxy)pyrimidin-2-amine?
The canonical SMILES for 4-Chloro-6-(4-chlorophenoxy)pyrimidin-2-amine is C1=CC(=CC=C1OC2=CC(=NC(=N2)N)Cl)Cl.
What is the InChIKey of 4-Chloro-6-(4-chlorophenoxy)pyrimidin-2-amine?
The InChIKey is JDTQJRVXTNCSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O/c11-6-1-3-7(4-2-6)16-9-5-8(12)14-10(13)15-9/h1-5H,(H2,13,14,15).
What are the key properties of 4-Chloro-6-(4-chlorophenoxy)pyrimidin-2-amine?
4-Chloro-6-(4-chlorophenoxy)pyrimidin-2-amine has a molecular weight of 256.08 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Chloro-6-(4-chlorophenoxy)pyrimidin-2-amine is sourced from PubChem (CID 389506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).