5-(3-chloro-4-fluorophenyl)pyrimidine-2,4-diamine

C10H8ClFN4 — CID 44531127

IUPAC5-(3-chloro-4-fluorophenyl)pyrimidine-2,4-diamine
SMILESNc1ncc(-c2ccc(F)c(Cl)c2)c(N)n1
InChIInChI=1S/C10H8ClFN4/c11-7-3-5(1-2-8(7)12)6-4-15-10(14)16-9(6)13/h1-4H,(H4,13,14,15,16)
InChIKeyWEATWAYLODOBGH-UHFFFAOYSA-N
MW238.65 g/mol
LogP2.10
Rot. Bonds1

About 5-(3-chloro-4-fluorophenyl)pyrimidine-2,4-diamine

5-(3-chloro-4-fluorophenyl)pyrimidine-2,4-diamine (PubChem CID 44531127) has the molecular formula C10H8ClFN4 and a molecular weight of 238.65 g/mol. Its IUPAC name is 5-(3-chloro-4-fluorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(3-chloro-4-fluorophenyl)pyrimidine-2,4-diamine
PubChem CID44531127
Molecular FormulaC10H8ClFN4
Molecular Weight238.65 g/mol
Exact Mass238.04
IUPAC Name5-(3-chloro-4-fluorophenyl)pyrimidine-2,4-diamine
SMILESNc1ncc(-c2ccc(F)c(Cl)c2)c(N)n1
InChIInChI=1S/C10H8ClFN4/c11-7-3-5(1-2-8(7)12)6-4-15-10(14)16-9(6)13/h1-4H,(H4,13,14,15,16)
InChIKeyWEATWAYLODOBGH-UHFFFAOYSA-N
XLogP2.10
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.65
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-fluorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-(3-chloro-4-fluorophenyl)pyrimidine-2,4-diamine (CID 44531127) is 5-(3-chloro-4-fluorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(3-chloro-4-fluorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(3-chloro-4-fluorophenyl)pyrimidine-2,4-diamine is Nc1ncc(-c2ccc(F)c(Cl)c2)c(N)n1.
What is the InChIKey of 5-(3-chloro-4-fluorophenyl)pyrimidine-2,4-diamine?
The InChIKey is WEATWAYLODOBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN4/c11-7-3-5(1-2-8(7)12)6-4-15-10(14)16-9(6)13/h1-4H,(H4,13,14,15,16).
What are the key properties of 5-(3-chloro-4-fluorophenyl)pyrimidine-2,4-diamine?
5-(3-chloro-4-fluorophenyl)pyrimidine-2,4-diamine has a molecular weight of 238.65 g/mol, XLogP of 2.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-fluorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 44531127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).