5-chloro-4-N-phenyl-2-N-propylpyrimidine-2,4-diamine

C13H15ClN4 — CID 80768239

IUPAC5-chloro-4-N-phenyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Cl)c(Nc2ccccc2)n1
InChIInChI=1S/C13H15ClN4/c1-2-8-15-13-16-9-11(14)12(18-13)17-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H2,15,16,17,18)
InChIKeyMCXAQADKDGCDKL-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.70
Rot. Bonds5

About 5-chloro-4-N-phenyl-2-N-propylpyrimidine-2,4-diamine

5-chloro-4-N-phenyl-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80768239) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 5-chloro-4-N-phenyl-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-phenyl-2-N-propylpyrimidine-2,4-diamine
PubChem CID80768239
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name5-chloro-4-N-phenyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Cl)c(Nc2ccccc2)n1
InChIInChI=1S/C13H15ClN4/c1-2-8-15-13-16-9-11(14)12(18-13)17-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H2,15,16,17,18)
InChIKeyMCXAQADKDGCDKL-UHFFFAOYSA-N
XLogP3.70
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-N-(2,3-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80754901
5-chloro-4-N-(2,4-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80759449
5-chloro-4-N-[(2-chlorophenyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80786539
4-N-(3-bromo-5-methylphenyl)-5-chloro-2-N-propylpyrimidine-2,4-diamine
CID 107580882
5-chloro-4-N-(2-chloro-4-iodophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 107604713
5-chloro-4-N-(3-chloro-5-fluorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 107371057
5-chloro-4-N-(2,5-dichloro-4-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 104728637
5-chloro-4-N-(3-fluoro-4-methoxyphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80773272
5-chloro-4-N-(4-chloro-2-fluorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80800384
5-chloro-2-N-ethyl-4-N-(4-fluorophenyl)pyrimidine-2,4-diamine
CID 80760360
5-chloro-4-N-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 71458913
5-chloro-2-N-propyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-2,4-diamine
CID 80831318

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-phenyl-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-phenyl-2-N-propylpyrimidine-2,4-diamine (CID 80768239) is 5-chloro-4-N-phenyl-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-phenyl-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-phenyl-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(Cl)c(Nc2ccccc2)n1.
What is the InChIKey of 5-chloro-4-N-phenyl-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is MCXAQADKDGCDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-2-8-15-13-16-9-11(14)12(18-13)17-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H2,15,16,17,18).
What are the key properties of 5-chloro-4-N-phenyl-2-N-propylpyrimidine-2,4-diamine?
5-chloro-4-N-phenyl-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 262.74 g/mol, XLogP of 3.70, 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-phenyl-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80768239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).