6-chloro-4-N-(3-fluoro-2-methylphenyl)pyrimidine-4,5-diamine

C11H10ClFN4 — CID 63022392

IUPAC6-chloro-4-N-(3-fluoro-2-methylphenyl)pyrimidine-4,5-diamine
SMILESCc1c(F)cccc1Nc1ncnc(Cl)c1N
InChIInChI=1S/C11H10ClFN4/c1-6-7(13)3-2-4-8(6)17-11-9(14)10(12)15-5-16-11/h2-5H,14H2,1H3,(H,15,16,17)
InChIKeyFKIYNEKQJLDKEK-UHFFFAOYSA-N
MW252.68 g/mol
LogP2.90
Rot. Bonds2

About 6-chloro-4-N-(3-fluoro-2-methylphenyl)pyrimidine-4,5-diamine

6-chloro-4-N-(3-fluoro-2-methylphenyl)pyrimidine-4,5-diamine (PubChem CID 63022392) has the molecular formula C11H10ClFN4 and a molecular weight of 252.68 g/mol. Its IUPAC name is 6-chloro-4-N-(3-fluoro-2-methylphenyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(3-fluoro-2-methylphenyl)pyrimidine-4,5-diamine
PubChem CID63022392
Molecular FormulaC11H10ClFN4
Molecular Weight252.68 g/mol
Exact Mass252.06
IUPAC Name6-chloro-4-N-(3-fluoro-2-methylphenyl)pyrimidine-4,5-diamine
SMILESCc1c(F)cccc1Nc1ncnc(Cl)c1N
InChIInChI=1S/C11H10ClFN4/c1-6-7(13)3-2-4-8(6)17-11-9(14)10(12)15-5-16-11/h2-5H,14H2,1H3,(H,15,16,17)
InChIKeyFKIYNEKQJLDKEK-UHFFFAOYSA-N
XLogP2.90
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(3-fluoro-2-methylphenyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N-(3-fluoro-2-methylphenyl)pyrimidine-4,5-diamine (CID 63022392) is 6-chloro-4-N-(3-fluoro-2-methylphenyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N-(3-fluoro-2-methylphenyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N-(3-fluoro-2-methylphenyl)pyrimidine-4,5-diamine is Cc1c(F)cccc1Nc1ncnc(Cl)c1N.
What is the InChIKey of 6-chloro-4-N-(3-fluoro-2-methylphenyl)pyrimidine-4,5-diamine?
The InChIKey is FKIYNEKQJLDKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN4/c1-6-7(13)3-2-4-8(6)17-11-9(14)10(12)15-5-16-11/h2-5H,14H2,1H3,(H,15,16,17).
What are the key properties of 6-chloro-4-N-(3-fluoro-2-methylphenyl)pyrimidine-4,5-diamine?
6-chloro-4-N-(3-fluoro-2-methylphenyl)pyrimidine-4,5-diamine has a molecular weight of 252.68 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(3-fluoro-2-methylphenyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 63022392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).