2-chloro-N-(3,4-dichlorophenyl)-5-fluoro-6-methylpyrimidin-4-amine

C11H7Cl3FN3 — CID 152652659

IUPAC2-chloro-N-(3,4-dichlorophenyl)-5-fluoro-6-methylpyrimidin-4-amine
SMILESCc1nc(Cl)nc(Nc2ccc(Cl)c(Cl)c2)c1F
InChIInChI=1S/C11H7Cl3FN3/c1-5-9(15)10(18-11(14)16-5)17-6-2-3-7(12)8(13)4-6/h2-4H,1H3,(H,16,17,18)
InChIKeyZHWLRLYQUAPFLD-UHFFFAOYSA-N
MW306.56 g/mol
LogP4.63
Rot. Bonds2

About 2-chloro-N-(3,4-dichlorophenyl)-5-fluoro-6-methylpyrimidin-4-amine

2-chloro-N-(3,4-dichlorophenyl)-5-fluoro-6-methylpyrimidin-4-amine (PubChem CID 152652659) has the molecular formula C11H7Cl3FN3 and a molecular weight of 306.56 g/mol. Its IUPAC name is 2-chloro-N-(3,4-dichlorophenyl)-5-fluoro-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(3,4-dichlorophenyl)-5-fluoro-6-methylpyrimidin-4-amine
PubChem CID152652659
Molecular FormulaC11H7Cl3FN3
Molecular Weight306.56 g/mol
Exact Mass304.97
IUPAC Name2-chloro-N-(3,4-dichlorophenyl)-5-fluoro-6-methylpyrimidin-4-amine
SMILESCc1nc(Cl)nc(Nc2ccc(Cl)c(Cl)c2)c1F
InChIInChI=1S/C11H7Cl3FN3/c1-5-9(15)10(18-11(14)16-5)17-6-2-3-7(12)8(13)4-6/h2-4H,1H3,(H,16,17,18)
InChIKeyZHWLRLYQUAPFLD-UHFFFAOYSA-N
XLogP4.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.56
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,4-dichlorophenyl)-5-fluoro-6-methylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(3,4-dichlorophenyl)-5-fluoro-6-methylpyrimidin-4-amine (CID 152652659) is 2-chloro-N-(3,4-dichlorophenyl)-5-fluoro-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(3,4-dichlorophenyl)-5-fluoro-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(3,4-dichlorophenyl)-5-fluoro-6-methylpyrimidin-4-amine is Cc1nc(Cl)nc(Nc2ccc(Cl)c(Cl)c2)c1F.
What is the InChIKey of 2-chloro-N-(3,4-dichlorophenyl)-5-fluoro-6-methylpyrimidin-4-amine?
The InChIKey is ZHWLRLYQUAPFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl3FN3/c1-5-9(15)10(18-11(14)16-5)17-6-2-3-7(12)8(13)4-6/h2-4H,1H3,(H,16,17,18).
What are the key properties of 2-chloro-N-(3,4-dichlorophenyl)-5-fluoro-6-methylpyrimidin-4-amine?
2-chloro-N-(3,4-dichlorophenyl)-5-fluoro-6-methylpyrimidin-4-amine has a molecular weight of 306.56 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,4-dichlorophenyl)-5-fluoro-6-methylpyrimidin-4-amine is sourced from PubChem (CID 152652659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).