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

C17H15Cl2N5O — CID 19146842

IUPAC4-N-(2,3-dichlorophenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine
SMILESCOc1ccc(Nc2ncnc(Nc3cccc(Cl)c3Cl)c2N)cc1
InChIInChI=1S/C17H15Cl2N5O/c1-25-11-7-5-10(6-8-11)23-16-15(20)17(22-9-21-16)24-13-4-2-3-12(18)14(13)19/h2-9H,20H2,1H3,(H2,21,22,23,24)
InChIKeyPUSZKEJPOZZLQR-UHFFFAOYSA-N
MW376.25 g/mol
LogP4.86
Rot. Bonds5

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

4-N-(2,3-dichlorophenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine (PubChem CID 19146842) has the molecular formula C17H15Cl2N5O and a molecular weight of 376.25 g/mol. Its IUPAC name is 4-N-(2,3-dichlorophenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(2,3-dichlorophenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine
PubChem CID19146842
Molecular FormulaC17H15Cl2N5O
Molecular Weight376.25 g/mol
Exact Mass375.07
IUPAC Name4-N-(2,3-dichlorophenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine
SMILESCOc1ccc(Nc2ncnc(Nc3cccc(Cl)c3Cl)c2N)cc1
InChIInChI=1S/C17H15Cl2N5O/c1-25-11-7-5-10(6-8-11)23-16-15(20)17(22-9-21-16)24-13-4-2-3-12(18)14(13)19/h2-9H,20H2,1H3,(H2,21,22,23,24)
InChIKeyPUSZKEJPOZZLQR-UHFFFAOYSA-N
XLogP4.86
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-(2,3-dichlorophenyl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142849
6-N-(3-chlorophenyl)-4-N-(2,3-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 19146835
4-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19137145
4-N-(5-chloro-2-methylphenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22547262
N'-[5-amino-6-(4-methoxyanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19149115
6-N-(2,3-dichlorophenyl)-4-N-(2,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 19146699
4-N-(4-methoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19144334
6-N-(2,3-dichlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22547040
6-(azepan-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine
CID 19137874
6-N-(4-methoxyphenyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine
CID 19149157
4-N-(2-chlorophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19147903
6-N-(2,3-dichlorophenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22545178

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dichlorophenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(2,3-dichlorophenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine (CID 19146842) is 4-N-(2,3-dichlorophenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(2,3-dichlorophenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(2,3-dichlorophenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine is COc1ccc(Nc2ncnc(Nc3cccc(Cl)c3Cl)c2N)cc1.
What is the InChIKey of 4-N-(2,3-dichlorophenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine?
The InChIKey is PUSZKEJPOZZLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N5O/c1-25-11-7-5-10(6-8-11)23-16-15(20)17(22-9-21-16)24-13-4-2-3-12(18)14(13)19/h2-9H,20H2,1H3,(H2,21,22,23,24).
What are the key properties of 4-N-(2,3-dichlorophenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine?
4-N-(2,3-dichlorophenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine has a molecular weight of 376.25 g/mol, XLogP of 4.86, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dichlorophenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19146842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).