2,5-dichloro-N-(5-chloro-2-methoxyphenyl)pyrimidin-4-amine

C11H8Cl3N3O — CID 79632991

IUPAC2,5-dichloro-N-(5-chloro-2-methoxyphenyl)pyrimidin-4-amine
SMILESCOc1ccc(Cl)cc1Nc1nc(Cl)ncc1Cl
InChIInChI=1S/C11H8Cl3N3O/c1-18-9-3-2-6(12)4-8(9)16-10-7(13)5-15-11(14)17-10/h2-5H,1H3,(H,15,16,17)
InChIKeyHKMHFMJYMAQHMF-UHFFFAOYSA-N
MW304.56 g/mol
LogP4.19
Rot. Bonds3

About 2,5-dichloro-N-(5-chloro-2-methoxyphenyl)pyrimidin-4-amine

2,5-dichloro-N-(5-chloro-2-methoxyphenyl)pyrimidin-4-amine (PubChem CID 79632991) has the molecular formula C11H8Cl3N3O and a molecular weight of 304.56 g/mol. Its IUPAC name is 2,5-dichloro-N-(5-chloro-2-methoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-(5-chloro-2-methoxyphenyl)pyrimidin-4-amine
PubChem CID79632991
Molecular FormulaC11H8Cl3N3O
Molecular Weight304.56 g/mol
Exact Mass302.97
IUPAC Name2,5-dichloro-N-(5-chloro-2-methoxyphenyl)pyrimidin-4-amine
SMILESCOc1ccc(Cl)cc1Nc1nc(Cl)ncc1Cl
InChIInChI=1S/C11H8Cl3N3O/c1-18-9-3-2-6(12)4-8(9)16-10-7(13)5-15-11(14)17-10/h2-5H,1H3,(H,15,16,17)
InChIKeyHKMHFMJYMAQHMF-UHFFFAOYSA-N
XLogP4.19
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.56
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(5-chloro-2-methoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 2,5-dichloro-N-(5-chloro-2-methoxyphenyl)pyrimidin-4-amine (CID 79632991) is 2,5-dichloro-N-(5-chloro-2-methoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2,5-dichloro-N-(5-chloro-2-methoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 2,5-dichloro-N-(5-chloro-2-methoxyphenyl)pyrimidin-4-amine is COc1ccc(Cl)cc1Nc1nc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-(5-chloro-2-methoxyphenyl)pyrimidin-4-amine?
The InChIKey is HKMHFMJYMAQHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl3N3O/c1-18-9-3-2-6(12)4-8(9)16-10-7(13)5-15-11(14)17-10/h2-5H,1H3,(H,15,16,17).
What are the key properties of 2,5-dichloro-N-(5-chloro-2-methoxyphenyl)pyrimidin-4-amine?
2,5-dichloro-N-(5-chloro-2-methoxyphenyl)pyrimidin-4-amine has a molecular weight of 304.56 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(5-chloro-2-methoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 79632991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).