5-chloro-4-N-(3-chloro-5-fluorophenyl)-2-N-propylpyrimidine-2,4-diamine

C13H13Cl2FN4 — CID 107371057

IUPAC5-chloro-4-N-(3-chloro-5-fluorophenyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Cl)c(Nc2cc(F)cc(Cl)c2)n1
InChIInChI=1S/C13H13Cl2FN4/c1-2-3-17-13-18-7-11(15)12(20-13)19-10-5-8(14)4-9(16)6-10/h4-7H,2-3H2,1H3,(H2,17,18,19,20)
InChIKeyPEMGARFHBDYINK-UHFFFAOYSA-N
MW315.18 g/mol
LogP4.49
Rot. Bonds5

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

5-chloro-4-N-(3-chloro-5-fluorophenyl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 107371057) has the molecular formula C13H13Cl2FN4 and a molecular weight of 315.18 g/mol. Its IUPAC name is 5-chloro-4-N-(3-chloro-5-fluorophenyl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(3-chloro-5-fluorophenyl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID107371057
Molecular FormulaC13H13Cl2FN4
Molecular Weight315.18 g/mol
Exact Mass314.05
IUPAC Name5-chloro-4-N-(3-chloro-5-fluorophenyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Cl)c(Nc2cc(F)cc(Cl)c2)n1
InChIInChI=1S/C13H13Cl2FN4/c1-2-3-17-13-18-7-11(15)12(20-13)19-10-5-8(14)4-9(16)6-10/h4-7H,2-3H2,1H3,(H2,17,18,19,20)
InChIKeyPEMGARFHBDYINK-UHFFFAOYSA-N
XLogP4.49
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.18
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(3-chloro-5-fluorophenyl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(3-chloro-5-fluorophenyl)-2-N-propylpyrimidine-2,4-diamine (CID 107371057) is 5-chloro-4-N-(3-chloro-5-fluorophenyl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(3-chloro-5-fluorophenyl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(3-chloro-5-fluorophenyl)-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(Cl)c(Nc2cc(F)cc(Cl)c2)n1.
What is the InChIKey of 5-chloro-4-N-(3-chloro-5-fluorophenyl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is PEMGARFHBDYINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2FN4/c1-2-3-17-13-18-7-11(15)12(20-13)19-10-5-8(14)4-9(16)6-10/h4-7H,2-3H2,1H3,(H2,17,18,19,20).
What are the key properties of 5-chloro-4-N-(3-chloro-5-fluorophenyl)-2-N-propylpyrimidine-2,4-diamine?
5-chloro-4-N-(3-chloro-5-fluorophenyl)-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 315.18 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(3-chloro-5-fluorophenyl)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 107371057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).