4-N-(2,6-dichlorophenyl)pyrimidine-4,5-diamine

C10H8Cl2N4 — CID 79918000

IUPAC4-N-(2,6-dichlorophenyl)pyrimidine-4,5-diamine
SMILESNc1cncnc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C10H8Cl2N4/c11-6-2-1-3-7(12)9(6)16-10-8(13)4-14-5-15-10/h1-5H,13H2,(H,14,15,16)
InChIKeyZXCGMVLXXICNFS-UHFFFAOYSA-N
MW255.11 g/mol
LogP3.11
Rot. Bonds2

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

4-N-(2,6-dichlorophenyl)pyrimidine-4,5-diamine (PubChem CID 79918000) has the molecular formula C10H8Cl2N4 and a molecular weight of 255.11 g/mol. Its IUPAC name is 4-N-(2,6-dichlorophenyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(2,6-dichlorophenyl)pyrimidine-4,5-diamine
PubChem CID79918000
Molecular FormulaC10H8Cl2N4
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name4-N-(2,6-dichlorophenyl)pyrimidine-4,5-diamine
SMILESNc1cncnc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C10H8Cl2N4/c11-6-2-1-3-7(12)9(6)16-10-8(13)4-14-5-15-10/h1-5H,13H2,(H,14,15,16)
InChIKeyZXCGMVLXXICNFS-UHFFFAOYSA-N
XLogP3.11
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,6-dichlorophenyl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(2,6-dichlorophenyl)pyrimidine-4,5-diamine (CID 79918000) is 4-N-(2,6-dichlorophenyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(2,6-dichlorophenyl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(2,6-dichlorophenyl)pyrimidine-4,5-diamine is Nc1cncnc1Nc1c(Cl)cccc1Cl.
What is the InChIKey of 4-N-(2,6-dichlorophenyl)pyrimidine-4,5-diamine?
The InChIKey is ZXCGMVLXXICNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4/c11-6-2-1-3-7(12)9(6)16-10-8(13)4-14-5-15-10/h1-5H,13H2,(H,14,15,16).
What are the key properties of 4-N-(2,6-dichlorophenyl)pyrimidine-4,5-diamine?
4-N-(2,6-dichlorophenyl)pyrimidine-4,5-diamine has a molecular weight of 255.11 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,6-dichlorophenyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 79918000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).