6-N-(2,3-dichlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine

C18H17Cl2N5 — CID 22547040

IUPAC6-N-(2,3-dichlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
SMILESCc1ccc(C)c(Nc2ncnc(Nc3cccc(Cl)c3Cl)c2N)c1
InChIInChI=1S/C18H17Cl2N5/c1-10-6-7-11(2)14(8-10)25-18-16(21)17(22-9-23-18)24-13-5-3-4-12(19)15(13)20/h3-9H,21H2,1-2H3,(H2,22,23,24,25)
InChIKeyKJEPUVCSIQMHCV-UHFFFAOYSA-N
MW374.28 g/mol
LogP5.47
Rot. Bonds4

About 6-N-(2,3-dichlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine

6-N-(2,3-dichlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine (PubChem CID 22547040) has the molecular formula C18H17Cl2N5 and a molecular weight of 374.28 g/mol. Its IUPAC name is 6-N-(2,3-dichlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(2,3-dichlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
PubChem CID22547040
Molecular FormulaC18H17Cl2N5
Molecular Weight374.28 g/mol
Exact Mass373.09
IUPAC Name6-N-(2,3-dichlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
SMILESCc1ccc(C)c(Nc2ncnc(Nc3cccc(Cl)c3Cl)c2N)c1
InChIInChI=1S/C18H17Cl2N5/c1-10-6-7-11(2)14(8-10)25-18-16(21)17(22-9-23-18)24-13-5-3-4-12(19)15(13)20/h3-9H,21H2,1-2H3,(H2,22,23,24,25)
InChIKeyKJEPUVCSIQMHCV-UHFFFAOYSA-N
XLogP5.47
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.28
LogP ≤ 55.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-(2-chlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22547049
6-N-(2,3-dichlorophenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22545178
6-N-(2,4-dimethylphenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22547014
6-N-(3,5-dichlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22544886
4-N-(2,5-dimethylphenyl)-6-N-(4-methylphenyl)pyrimidine-4,5,6-triamine
CID 22547055
4-N-(2,5-dimethylphenyl)-6-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 22547024
6-N-(2,3-dichlorophenyl)-4-N-(2,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 19146699
6-N-(3-chlorophenyl)-4-N-(2,3-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 19146835
4-N-(2,5-dimethylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine
CID 22546979
N-(2,3-dichlorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80916872
4-N-(2,3-dichlorophenyl)-6-N-hexadecylpyrimidine-4,5,6-triamine
CID 19142390
6-N-(4-bromophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22547057

Frequently Asked Questions

What is the IUPAC name of 6-N-(2,3-dichlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(2,3-dichlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine (CID 22547040) is 6-N-(2,3-dichlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(2,3-dichlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(2,3-dichlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine is Cc1ccc(C)c(Nc2ncnc(Nc3cccc(Cl)c3Cl)c2N)c1.
What is the InChIKey of 6-N-(2,3-dichlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine?
The InChIKey is KJEPUVCSIQMHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N5/c1-10-6-7-11(2)14(8-10)25-18-16(21)17(22-9-23-18)24-13-5-3-4-12(19)15(13)20/h3-9H,21H2,1-2H3,(H2,22,23,24,25).
What are the key properties of 6-N-(2,3-dichlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine?
6-N-(2,3-dichlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine has a molecular weight of 374.28 g/mol, XLogP of 5.47, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,3-dichlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22547040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).