5-(3-chlorophenyl)-5-fluoro-2H-pyrimidine-2,4-diamine

C10H10ClFN4 — CID 69035983

IUPAC5-(3-chlorophenyl)-5-fluoro-2H-pyrimidine-2,4-diamine
SMILESNC1=NC(N)N=CC1(F)c1cccc(Cl)c1
InChIInChI=1S/C10H10ClFN4/c11-7-3-1-2-6(4-7)10(12)5-15-9(14)16-8(10)13/h1-5,9H,14H2,(H2,13,16)
InChIKeyPIQVLOSCJLSOMY-UHFFFAOYSA-N
MW240.67 g/mol
LogP1.19
Rot. Bonds1

About 5-(3-chlorophenyl)-5-fluoro-2H-pyrimidine-2,4-diamine

5-(3-chlorophenyl)-5-fluoro-2H-pyrimidine-2,4-diamine (PubChem CID 69035983) has the molecular formula C10H10ClFN4 and a molecular weight of 240.67 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-5-fluoro-2H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-5-fluoro-2H-pyrimidine-2,4-diamine
PubChem CID69035983
Molecular FormulaC10H10ClFN4
Molecular Weight240.67 g/mol
Exact Mass240.06
IUPAC Name5-(3-chlorophenyl)-5-fluoro-2H-pyrimidine-2,4-diamine
SMILESNC1=NC(N)N=CC1(F)c1cccc(Cl)c1
InChIInChI=1S/C10H10ClFN4/c11-7-3-1-2-6(4-7)10(12)5-15-9(14)16-8(10)13/h1-5,9H,14H2,(H2,13,16)
InChIKeyPIQVLOSCJLSOMY-UHFFFAOYSA-N
XLogP1.19
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.67
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-5-fluoro-2H-pyrimidine-2,4-diamine?
The IUPAC name of 5-(3-chlorophenyl)-5-fluoro-2H-pyrimidine-2,4-diamine (CID 69035983) is 5-(3-chlorophenyl)-5-fluoro-2H-pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(3-chlorophenyl)-5-fluoro-2H-pyrimidine-2,4-diamine?
The canonical SMILES for 5-(3-chlorophenyl)-5-fluoro-2H-pyrimidine-2,4-diamine is NC1=NC(N)N=CC1(F)c1cccc(Cl)c1.
What is the InChIKey of 5-(3-chlorophenyl)-5-fluoro-2H-pyrimidine-2,4-diamine?
The InChIKey is PIQVLOSCJLSOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN4/c11-7-3-1-2-6(4-7)10(12)5-15-9(14)16-8(10)13/h1-5,9H,14H2,(H2,13,16).
What are the key properties of 5-(3-chlorophenyl)-5-fluoro-2H-pyrimidine-2,4-diamine?
5-(3-chlorophenyl)-5-fluoro-2H-pyrimidine-2,4-diamine has a molecular weight of 240.67 g/mol, XLogP of 1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-5-fluoro-2H-pyrimidine-2,4-diamine is sourced from PubChem (CID 69035983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).