2-N,4-N-bis(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine

C16H11Cl2FN4 — CID 745199

IUPAC2-N,4-N-bis(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine
SMILESFc1cnc(Nc2cccc(Cl)c2)nc1Nc1cccc(Cl)c1
InChIInChI=1S/C16H11Cl2FN4/c17-10-3-1-5-12(7-10)21-15-14(19)9-20-16(23-15)22-13-6-2-4-11(18)8-13/h1-9H,(H2,20,21,22,23)
InChIKeyRUPMYJYSOQCMBT-UHFFFAOYSA-N
MW349.20 g/mol
LogP5.41
Rot. Bonds4

About 2-N,4-N-bis(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine

2-N,4-N-bis(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine (PubChem CID 745199) has the molecular formula C16H11Cl2FN4 and a molecular weight of 349.20 g/mol. Its IUPAC name is 2-N,4-N-bis(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine
PubChem CID745199
Molecular FormulaC16H11Cl2FN4
Molecular Weight349.20 g/mol
Exact Mass348.03
IUPAC Name2-N,4-N-bis(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine
SMILESFc1cnc(Nc2cccc(Cl)c2)nc1Nc1cccc(Cl)c1
InChIInChI=1S/C16H11Cl2FN4/c17-10-3-1-5-12(7-10)21-15-14(19)9-20-16(23-15)22-13-6-2-4-11(18)8-13/h1-9H,(H2,20,21,22,23)
InChIKeyRUPMYJYSOQCMBT-UHFFFAOYSA-N
XLogP5.41
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.20
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine (CID 745199) is 2-N,4-N-bis(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine is Fc1cnc(Nc2cccc(Cl)c2)nc1Nc1cccc(Cl)c1.
What is the InChIKey of 2-N,4-N-bis(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine?
The InChIKey is RUPMYJYSOQCMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2FN4/c17-10-3-1-5-12(7-10)21-15-14(19)9-20-16(23-15)22-13-6-2-4-11(18)8-13/h1-9H,(H2,20,21,22,23).
What are the key properties of 2-N,4-N-bis(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine?
2-N,4-N-bis(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine has a molecular weight of 349.20 g/mol, XLogP of 5.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine is sourced from PubChem (CID 745199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).