4-chloro-6-[(2,6-dichlorophenyl)methyl]pyrimidin-2-amine

C11H8Cl3N3 — CID 22398445

IUPAC4-chloro-6-[(2,6-dichlorophenyl)methyl]pyrimidin-2-amine
SMILESNc1nc(Cl)cc(Cc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C11H8Cl3N3/c12-8-2-1-3-9(13)7(8)4-6-5-10(14)17-11(15)16-6/h1-3,5H,4H2,(H2,15,16,17)
InChIKeyWOVVGQDOZWGNBF-UHFFFAOYSA-N
MW288.57 g/mol
LogP3.61
Rot. Bonds2

About 4-chloro-6-[(2,6-dichlorophenyl)methyl]pyrimidin-2-amine

4-chloro-6-[(2,6-dichlorophenyl)methyl]pyrimidin-2-amine (PubChem CID 22398445) has the molecular formula C11H8Cl3N3 and a molecular weight of 288.57 g/mol. Its IUPAC name is 4-chloro-6-[(2,6-dichlorophenyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[(2,6-dichlorophenyl)methyl]pyrimidin-2-amine
PubChem CID22398445
Molecular FormulaC11H8Cl3N3
Molecular Weight288.57 g/mol
Exact Mass286.98
IUPAC Name4-chloro-6-[(2,6-dichlorophenyl)methyl]pyrimidin-2-amine
SMILESNc1nc(Cl)cc(Cc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C11H8Cl3N3/c12-8-2-1-3-9(13)7(8)4-6-5-10(14)17-11(15)16-6/h1-3,5H,4H2,(H2,15,16,17)
InChIKeyWOVVGQDOZWGNBF-UHFFFAOYSA-N
XLogP3.61
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.57
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(2,6-dichlorophenyl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-[(2,6-dichlorophenyl)methyl]pyrimidin-2-amine (CID 22398445) is 4-chloro-6-[(2,6-dichlorophenyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-[(2,6-dichlorophenyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-[(2,6-dichlorophenyl)methyl]pyrimidin-2-amine is Nc1nc(Cl)cc(Cc2c(Cl)cccc2Cl)n1.
What is the InChIKey of 4-chloro-6-[(2,6-dichlorophenyl)methyl]pyrimidin-2-amine?
The InChIKey is WOVVGQDOZWGNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl3N3/c12-8-2-1-3-9(13)7(8)4-6-5-10(14)17-11(15)16-6/h1-3,5H,4H2,(H2,15,16,17).
What are the key properties of 4-chloro-6-[(2,6-dichlorophenyl)methyl]pyrimidin-2-amine?
4-chloro-6-[(2,6-dichlorophenyl)methyl]pyrimidin-2-amine has a molecular weight of 288.57 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(2,6-dichlorophenyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 22398445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).