4-N-(3,4-dichlorophenyl)-2-(2-fluorophenyl)pyrimidine-4,6-diamine

C16H11Cl2FN4 — CID 53214589

IUPAC4-N-(3,4-dichlorophenyl)-2-(2-fluorophenyl)pyrimidine-4,6-diamine
SMILESNc1cc(Nc2ccc(Cl)c(Cl)c2)nc(-c2ccccc2F)n1
InChIInChI=1S/C16H11Cl2FN4/c17-11-6-5-9(7-12(11)18)21-15-8-14(20)22-16(23-15)10-3-1-2-4-13(10)19/h1-8H,(H3,20,21,22,23)
InChIKeyYLVLXBOWVVXTNK-UHFFFAOYSA-N
MW349.20 g/mol
LogP4.92
Rot. Bonds3

About 4-N-(3,4-dichlorophenyl)-2-(2-fluorophenyl)pyrimidine-4,6-diamine

4-N-(3,4-dichlorophenyl)-2-(2-fluorophenyl)pyrimidine-4,6-diamine (PubChem CID 53214589) has the molecular formula C16H11Cl2FN4 and a molecular weight of 349.20 g/mol. Its IUPAC name is 4-N-(3,4-dichlorophenyl)-2-(2-fluorophenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3,4-dichlorophenyl)-2-(2-fluorophenyl)pyrimidine-4,6-diamine
PubChem CID53214589
Molecular FormulaC16H11Cl2FN4
Molecular Weight349.20 g/mol
Exact Mass348.03
IUPAC Name4-N-(3,4-dichlorophenyl)-2-(2-fluorophenyl)pyrimidine-4,6-diamine
SMILESNc1cc(Nc2ccc(Cl)c(Cl)c2)nc(-c2ccccc2F)n1
InChIInChI=1S/C16H11Cl2FN4/c17-11-6-5-9(7-12(11)18)21-15-8-14(20)22-16(23-15)10-3-1-2-4-13(10)19/h1-8H,(H3,20,21,22,23)
InChIKeyYLVLXBOWVVXTNK-UHFFFAOYSA-N
XLogP4.92
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.20
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-dichlorophenyl)-2-(2-fluorophenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3,4-dichlorophenyl)-2-(2-fluorophenyl)pyrimidine-4,6-diamine (CID 53214589) is 4-N-(3,4-dichlorophenyl)-2-(2-fluorophenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3,4-dichlorophenyl)-2-(2-fluorophenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3,4-dichlorophenyl)-2-(2-fluorophenyl)pyrimidine-4,6-diamine is Nc1cc(Nc2ccc(Cl)c(Cl)c2)nc(-c2ccccc2F)n1.
What is the InChIKey of 4-N-(3,4-dichlorophenyl)-2-(2-fluorophenyl)pyrimidine-4,6-diamine?
The InChIKey is YLVLXBOWVVXTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2FN4/c17-11-6-5-9(7-12(11)18)21-15-8-14(20)22-16(23-15)10-3-1-2-4-13(10)19/h1-8H,(H3,20,21,22,23).
What are the key properties of 4-N-(3,4-dichlorophenyl)-2-(2-fluorophenyl)pyrimidine-4,6-diamine?
4-N-(3,4-dichlorophenyl)-2-(2-fluorophenyl)pyrimidine-4,6-diamine has a molecular weight of 349.20 g/mol, XLogP of 4.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-dichlorophenyl)-2-(2-fluorophenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 53214589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).