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

C18H17Cl2N5O2 — CID 19142849

IUPAC6-N-(2,3-dichlorophenyl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
SMILESCOc1ccc(Nc2ncnc(Nc3cccc(Cl)c3Cl)c2N)c(OC)c1
InChIInChI=1S/C18H17Cl2N5O2/c1-26-10-6-7-12(14(8-10)27-2)24-17-16(21)18(23-9-22-17)25-13-5-3-4-11(19)15(13)20/h3-9H,21H2,1-2H3,(H2,22,23,24,25)
InChIKeyYMAPJJNSBKHQLA-UHFFFAOYSA-N
MW406.27 g/mol
LogP4.87
Rot. Bonds6

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

6-N-(2,3-dichlorophenyl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine (PubChem CID 19142849) has the molecular formula C18H17Cl2N5O2 and a molecular weight of 406.27 g/mol. Its IUPAC name is 6-N-(2,3-dichlorophenyl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(2,3-dichlorophenyl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
PubChem CID19142849
Molecular FormulaC18H17Cl2N5O2
Molecular Weight406.27 g/mol
Exact Mass405.08
IUPAC Name6-N-(2,3-dichlorophenyl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
SMILESCOc1ccc(Nc2ncnc(Nc3cccc(Cl)c3Cl)c2N)c(OC)c1
InChIInChI=1S/C18H17Cl2N5O2/c1-26-10-6-7-12(14(8-10)27-2)24-17-16(21)18(23-9-22-17)25-13-5-3-4-11(19)15(13)20/h3-9H,21H2,1-2H3,(H2,22,23,24,25)
InChIKeyYMAPJJNSBKHQLA-UHFFFAOYSA-N
XLogP4.87
TPSA94.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.27
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-N,6-N-bis(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142820
6-N-(2,3-dichlorophenyl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112866516
4-N-(2,3-dichlorophenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19146842
6-N-[(2-chlorophenyl)methyl]-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142949
4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142964
6-N-(2,4-dichlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142724
6-N-(2,4-dimethoxyphenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine
CID 19142831
6-N-(2,4-dimethoxyphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 19142840
6-N-(2,3-dichlorophenyl)-4-N-(2,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 19146699
6-(4-bromophenoxy)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5-diamine
CID 19142963
6-N-(2,3-dichlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22547040
2-N-(2,4-dimethoxyphenyl)-5-methylpyridine-2,3-diamine
CID 66280389

Frequently Asked Questions

What is the IUPAC name of 6-N-(2,3-dichlorophenyl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(2,3-dichlorophenyl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine (CID 19142849) is 6-N-(2,3-dichlorophenyl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(2,3-dichlorophenyl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(2,3-dichlorophenyl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine is COc1ccc(Nc2ncnc(Nc3cccc(Cl)c3Cl)c2N)c(OC)c1.
What is the InChIKey of 6-N-(2,3-dichlorophenyl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine?
The InChIKey is YMAPJJNSBKHQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N5O2/c1-26-10-6-7-12(14(8-10)27-2)24-17-16(21)18(23-9-22-17)25-13-5-3-4-11(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-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine?
6-N-(2,3-dichlorophenyl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine has a molecular weight of 406.27 g/mol, XLogP of 4.87, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,3-dichlorophenyl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19142849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).