6-chloro-4-N-(4-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine

C11H10ClFN4 — CID 80735308

IUPAC6-chloro-4-N-(4-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine
SMILESCN(c1ccc(F)cc1)c1cc(Cl)nc(N)n1
InChIInChI=1S/C11H10ClFN4/c1-17(8-4-2-7(13)3-5-8)10-6-9(12)15-11(14)16-10/h2-6H,1H3,(H2,14,15,16)
InChIKeyITPPKNXPEWTKLS-UHFFFAOYSA-N
MW252.68 g/mol
LogP2.62
Rot. Bonds2

About 6-chloro-4-N-(4-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine

6-chloro-4-N-(4-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine (PubChem CID 80735308) has the molecular formula C11H10ClFN4 and a molecular weight of 252.68 g/mol. Its IUPAC name is 6-chloro-4-N-(4-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(4-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine
PubChem CID80735308
Molecular FormulaC11H10ClFN4
Molecular Weight252.68 g/mol
Exact Mass252.06
IUPAC Name6-chloro-4-N-(4-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine
SMILESCN(c1ccc(F)cc1)c1cc(Cl)nc(N)n1
InChIInChI=1S/C11H10ClFN4/c1-17(8-4-2-7(13)3-5-8)10-6-9(12)15-11(14)16-10/h2-6H,1H3,(H2,14,15,16)
InChIKeyITPPKNXPEWTKLS-UHFFFAOYSA-N
XLogP2.62
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(4-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-(4-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine (CID 80735308) is 6-chloro-4-N-(4-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-(4-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-(4-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine is CN(c1ccc(F)cc1)c1cc(Cl)nc(N)n1.
What is the InChIKey of 6-chloro-4-N-(4-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is ITPPKNXPEWTKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN4/c1-17(8-4-2-7(13)3-5-8)10-6-9(12)15-11(14)16-10/h2-6H,1H3,(H2,14,15,16).
What are the key properties of 6-chloro-4-N-(4-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine?
6-chloro-4-N-(4-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 252.68 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(4-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80735308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).