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

C13H13Cl2FN4 — CID 80800384

IUPAC5-chloro-4-N-(4-chloro-2-fluorophenyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Cl)c(Nc2ccc(Cl)cc2F)n1
InChIInChI=1S/C13H13Cl2FN4/c1-2-5-17-13-18-7-9(15)12(20-13)19-11-4-3-8(14)6-10(11)16/h3-4,6-7H,2,5H2,1H3,(H2,17,18,19,20)
InChIKeyVYPBPCTUNJUYSL-UHFFFAOYSA-N
MW315.18 g/mol
LogP4.49
Rot. Bonds5

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

5-chloro-4-N-(4-chloro-2-fluorophenyl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80800384) has the molecular formula C13H13Cl2FN4 and a molecular weight of 315.18 g/mol. Its IUPAC name is 5-chloro-4-N-(4-chloro-2-fluorophenyl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(4-chloro-2-fluorophenyl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID80800384
Molecular FormulaC13H13Cl2FN4
Molecular Weight315.18 g/mol
Exact Mass314.05
IUPAC Name5-chloro-4-N-(4-chloro-2-fluorophenyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Cl)c(Nc2ccc(Cl)cc2F)n1
InChIInChI=1S/C13H13Cl2FN4/c1-2-5-17-13-18-7-9(15)12(20-13)19-11-4-3-8(14)6-10(11)16/h3-4,6-7H,2,5H2,1H3,(H2,17,18,19,20)
InChIKeyVYPBPCTUNJUYSL-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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Related Compounds

5-chloro-4-N-(2,4-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80759449
5-chloro-4-N-(5-fluoro-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80762137
5-chloro-4-N-(2-chloro-4-iodophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 107604713
5-chloro-2-N-propyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-2,4-diamine
CID 80831318
5-chloro-4-N-(2,4-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80760116
4-N-(2-fluoro-4-methylphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80754909
5-chloro-4-N-(3-chloro-5-fluorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 107371057
5-chloro-4-N-(2,3-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80754901
5-chloro-4-N-(2,5-dichloro-4-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 104728637
4-N-(5-bromo-2-methylphenyl)-5-chloro-2-N-propylpyrimidine-2,4-diamine
CID 80788732
5-chloro-2-N-ethyl-4-N-(2,4,5-trifluorophenyl)pyrimidine-2,4-diamine
CID 80824592
4-N-(5-chloro-2-methoxyphenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80737026

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(4-chloro-2-fluorophenyl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(4-chloro-2-fluorophenyl)-2-N-propylpyrimidine-2,4-diamine (CID 80800384) is 5-chloro-4-N-(4-chloro-2-fluorophenyl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(4-chloro-2-fluorophenyl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(4-chloro-2-fluorophenyl)-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(Cl)c(Nc2ccc(Cl)cc2F)n1.
What is the InChIKey of 5-chloro-4-N-(4-chloro-2-fluorophenyl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is VYPBPCTUNJUYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2FN4/c1-2-5-17-13-18-7-9(15)12(20-13)19-11-4-3-8(14)6-10(11)16/h3-4,6-7H,2,5H2,1H3,(H2,17,18,19,20).
What are the key properties of 5-chloro-4-N-(4-chloro-2-fluorophenyl)-2-N-propylpyrimidine-2,4-diamine?
5-chloro-4-N-(4-chloro-2-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-(4-chloro-2-fluorophenyl)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80800384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).