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

C18H18ClN5 — CID 22547049

IUPAC6-N-(2-chlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
SMILESCc1ccc(C)c(Nc2ncnc(Nc3ccccc3Cl)c2N)c1
InChIInChI=1S/C18H18ClN5/c1-11-7-8-12(2)15(9-11)24-18-16(20)17(21-10-22-18)23-14-6-4-3-5-13(14)19/h3-10H,20H2,1-2H3,(H2,21,22,23,24)
InChIKeyBRIMLFSTMZJOKU-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.82
Rot. Bonds4

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

6-N-(2-chlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine (PubChem CID 22547049) has the molecular formula C18H18ClN5 and a molecular weight of 339.83 g/mol. Its IUPAC name is 6-N-(2-chlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(2-chlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
PubChem CID22547049
Molecular FormulaC18H18ClN5
Molecular Weight339.83 g/mol
Exact Mass339.13
IUPAC Name6-N-(2-chlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
SMILESCc1ccc(C)c(Nc2ncnc(Nc3ccccc3Cl)c2N)c1
InChIInChI=1S/C18H18ClN5/c1-11-7-8-12(2)15(9-11)24-18-16(20)17(21-10-22-18)23-14-6-4-3-5-13(14)19/h3-10H,20H2,1-2H3,(H2,21,22,23,24)
InChIKeyBRIMLFSTMZJOKU-UHFFFAOYSA-N
XLogP4.82
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-(2,3-dichlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22547040
4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,5,6-triamine
CID 19147893
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
6-N-(2-chlorophenyl)-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19143159
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-(4-bromophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22547057
6-N-butyl-4-N-(2-chlorophenyl)pyrimidine-4,5,6-triamine
CID 19134851
4-N-(2,5-dimethylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine
CID 22546979
4-N-(3,5-dimethylphenyl)-6-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
CID 22540987
4-N-benzyl-6-N-(2,5-dimethylphenyl)-4-N-methylpyrimidine-4,5,6-triamine
CID 22539498

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-chlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(2-chlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine (CID 22547049) is 6-N-(2-chlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(2-chlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(2-chlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine is Cc1ccc(C)c(Nc2ncnc(Nc3ccccc3Cl)c2N)c1.
What is the InChIKey of 6-N-(2-chlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine?
The InChIKey is BRIMLFSTMZJOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5/c1-11-7-8-12(2)15(9-11)24-18-16(20)17(21-10-22-18)23-14-6-4-3-5-13(14)19/h3-10H,20H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 6-N-(2-chlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine?
6-N-(2-chlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine has a molecular weight of 339.83 g/mol, XLogP of 4.82, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-chlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22547049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).