6-chloro-4-N-(2-propylphenyl)pyrimidine-4,5-diamine

C13H15ClN4 — CID 55143311

IUPAC6-chloro-4-N-(2-propylphenyl)pyrimidine-4,5-diamine
SMILESCCCc1ccccc1Nc1ncnc(Cl)c1N
InChIInChI=1S/C13H15ClN4/c1-2-5-9-6-3-4-7-10(9)18-13-11(15)12(14)16-8-17-13/h3-4,6-8H,2,5,15H2,1H3,(H,16,17,18)
InChIKeyXAHJTYNNATVSDZ-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.41
Rot. Bonds4

About 6-chloro-4-N-(2-propylphenyl)pyrimidine-4,5-diamine

6-chloro-4-N-(2-propylphenyl)pyrimidine-4,5-diamine (PubChem CID 55143311) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 6-chloro-4-N-(2-propylphenyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(2-propylphenyl)pyrimidine-4,5-diamine
PubChem CID55143311
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name6-chloro-4-N-(2-propylphenyl)pyrimidine-4,5-diamine
SMILESCCCc1ccccc1Nc1ncnc(Cl)c1N
InChIInChI=1S/C13H15ClN4/c1-2-5-9-6-3-4-7-10(9)18-13-11(15)12(14)16-8-17-13/h3-4,6-8H,2,5,15H2,1H3,(H,16,17,18)
InChIKeyXAHJTYNNATVSDZ-UHFFFAOYSA-N
XLogP3.41
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(2-propylphenyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N-(2-propylphenyl)pyrimidine-4,5-diamine (CID 55143311) is 6-chloro-4-N-(2-propylphenyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N-(2-propylphenyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N-(2-propylphenyl)pyrimidine-4,5-diamine is CCCc1ccccc1Nc1ncnc(Cl)c1N.
What is the InChIKey of 6-chloro-4-N-(2-propylphenyl)pyrimidine-4,5-diamine?
The InChIKey is XAHJTYNNATVSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-2-5-9-6-3-4-7-10(9)18-13-11(15)12(14)16-8-17-13/h3-4,6-8H,2,5,15H2,1H3,(H,16,17,18).
What are the key properties of 6-chloro-4-N-(2-propylphenyl)pyrimidine-4,5-diamine?
6-chloro-4-N-(2-propylphenyl)pyrimidine-4,5-diamine has a molecular weight of 262.74 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(2-propylphenyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 55143311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).