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

C16H11Cl4N5 — CID 22544993

IUPAC6-N-(2,4-dichlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
SMILESNc1c(Nc2cc(Cl)cc(Cl)c2)ncnc1Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H11Cl4N5/c17-8-1-2-13(12(20)6-8)25-16-14(21)15(22-7-23-16)24-11-4-9(18)3-10(19)5-11/h1-7H,21H2,(H2,22,23,24,25)
InChIKeyITTIFCSYYDOWAU-UHFFFAOYSA-N
MW415.11 g/mol
LogP6.16
Rot. Bonds4

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

6-N-(2,4-dichlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine (PubChem CID 22544993) has the molecular formula C16H11Cl4N5 and a molecular weight of 415.11 g/mol. Its IUPAC name is 6-N-(2,4-dichlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(2,4-dichlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
PubChem CID22544993
Molecular FormulaC16H11Cl4N5
Molecular Weight415.11 g/mol
Exact Mass412.98
IUPAC Name6-N-(2,4-dichlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
SMILESNc1c(Nc2cc(Cl)cc(Cl)c2)ncnc1Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H11Cl4N5/c17-8-1-2-13(12(20)6-8)25-16-14(21)15(22-7-23-16)24-11-4-9(18)3-10(19)5-11/h1-7H,21H2,(H2,22,23,24,25)
InChIKeyITTIFCSYYDOWAU-UHFFFAOYSA-N
XLogP6.16
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.11
LogP ≤ 56.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-(3-chlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544979
dimethyl 5-[[5-amino-6-(2,4-dichloroanilino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate
CID 22547670
4-N-cyclopentyl-6-N-(2,4-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 19149855
4-N-cycloheptyl-6-N-(2,4-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 19149860
6-N-(5-chloro-2-pyridinyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544968
6-N-(3,5-dichlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22544886
6-N-(4-bromophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544983
6-N-(2,4-dichlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142724
6-N-(2,4-dichlorophenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine
CID 22541920
6-N-(2,4-dichlorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine
CID 19144482
6-N-(3-chlorophenyl)-4-N-(2,3-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 19146835
6-(4-chlorophenyl)sulfanyl-4-N-(3,5-dichlorophenyl)pyrimidine-4,5-diamine
CID 22544900

Frequently Asked Questions

What is the IUPAC name of 6-N-(2,4-dichlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(2,4-dichlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine (CID 22544993) is 6-N-(2,4-dichlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(2,4-dichlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(2,4-dichlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine is Nc1c(Nc2cc(Cl)cc(Cl)c2)ncnc1Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 6-N-(2,4-dichlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine?
The InChIKey is ITTIFCSYYDOWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl4N5/c17-8-1-2-13(12(20)6-8)25-16-14(21)15(22-7-23-16)24-11-4-9(18)3-10(19)5-11/h1-7H,21H2,(H2,22,23,24,25).
What are the key properties of 6-N-(2,4-dichlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine?
6-N-(2,4-dichlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine has a molecular weight of 415.11 g/mol, XLogP of 6.16, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,4-dichlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22544993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).