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

C16H14Cl2N6 — CID 22545178

IUPAC6-N-(2,3-dichlorophenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
SMILESCc1ccnc(Nc2ncnc(Nc3cccc(Cl)c3Cl)c2N)c1
InChIInChI=1S/C16H14Cl2N6/c1-9-5-6-20-12(7-9)24-16-14(19)15(21-8-22-16)23-11-4-2-3-10(17)13(11)18/h2-8H,19H2,1H3,(H2,20,21,22,23,24)
InChIKeyQCZQEJMOFRAKMR-UHFFFAOYSA-N
MW361.24 g/mol
LogP4.56
Rot. Bonds4

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

6-N-(2,3-dichlorophenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine (PubChem CID 22545178) has the molecular formula C16H14Cl2N6 and a molecular weight of 361.24 g/mol. Its IUPAC name is 6-N-(2,3-dichlorophenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(2,3-dichlorophenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
PubChem CID22545178
Molecular FormulaC16H14Cl2N6
Molecular Weight361.24 g/mol
Exact Mass360.07
IUPAC Name6-N-(2,3-dichlorophenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
SMILESCc1ccnc(Nc2ncnc(Nc3cccc(Cl)c3Cl)c2N)c1
InChIInChI=1S/C16H14Cl2N6/c1-9-5-6-20-12(7-9)24-16-14(19)15(21-8-22-16)23-11-4-2-3-10(17)13(11)18/h2-8H,19H2,1H3,(H2,20,21,22,23,24)
InChIKeyQCZQEJMOFRAKMR-UHFFFAOYSA-N
XLogP4.56
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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-(4-methyl-2-pyridinyl)-6-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
CID 22545164
6-N-(5-chloro-2-methylphenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22545099
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
ethyl 2-[[5-amino-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]benzoate
CID 22545282
N-(2,3-dichlorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80916872
4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22545293
6-N-(2-chlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22547049
6-N-(4-iodophenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22545196
4-N-(2,3-dichlorophenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19146842
6-N-(2,3-dichlorophenyl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142849

Frequently Asked Questions

What is the IUPAC name of 6-N-(2,3-dichlorophenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(2,3-dichlorophenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine (CID 22545178) is 6-N-(2,3-dichlorophenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(2,3-dichlorophenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(2,3-dichlorophenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine is Cc1ccnc(Nc2ncnc(Nc3cccc(Cl)c3Cl)c2N)c1.
What is the InChIKey of 6-N-(2,3-dichlorophenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine?
The InChIKey is QCZQEJMOFRAKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N6/c1-9-5-6-20-12(7-9)24-16-14(19)15(21-8-22-16)23-11-4-2-3-10(17)13(11)18/h2-8H,19H2,1H3,(H2,20,21,22,23,24).
What are the key properties of 6-N-(2,3-dichlorophenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine?
6-N-(2,3-dichlorophenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine has a molecular weight of 361.24 g/mol, XLogP of 4.56, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,3-dichlorophenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22545178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).