6-N-[(2-chlorophenyl)methyl]-4-N-(2,5-dichlorophenyl)pyrimidine-4,5,6-triamine

C17H14Cl3N5 — CID 19146799

IUPAC6-N-[(2-chlorophenyl)methyl]-4-N-(2,5-dichlorophenyl)pyrimidine-4,5,6-triamine
SMILESNc1c(NCc2ccccc2Cl)ncnc1Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H14Cl3N5/c18-11-5-6-13(20)14(7-11)25-17-15(21)16(23-9-24-17)22-8-10-3-1-2-4-12(10)19/h1-7,9H,8,21H2,(H2,22,23,24,25)
InChIKeyUFVJKLFJNQFTJT-UHFFFAOYSA-N
MW394.69 g/mol
LogP5.37
Rot. Bonds5

About 6-N-[(2-chlorophenyl)methyl]-4-N-(2,5-dichlorophenyl)pyrimidine-4,5,6-triamine

6-N-[(2-chlorophenyl)methyl]-4-N-(2,5-dichlorophenyl)pyrimidine-4,5,6-triamine (PubChem CID 19146799) has the molecular formula C17H14Cl3N5 and a molecular weight of 394.69 g/mol. Its IUPAC name is 6-N-[(2-chlorophenyl)methyl]-4-N-(2,5-dichlorophenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-[(2-chlorophenyl)methyl]-4-N-(2,5-dichlorophenyl)pyrimidine-4,5,6-triamine
PubChem CID19146799
Molecular FormulaC17H14Cl3N5
Molecular Weight394.69 g/mol
Exact Mass393.03
IUPAC Name6-N-[(2-chlorophenyl)methyl]-4-N-(2,5-dichlorophenyl)pyrimidine-4,5,6-triamine
SMILESNc1c(NCc2ccccc2Cl)ncnc1Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H14Cl3N5/c18-11-5-6-13(20)14(7-11)25-17-15(21)16(23-9-24-17)22-8-10-3-1-2-4-12(10)19/h1-7,9H,8,21H2,(H2,22,23,24,25)
InChIKeyUFVJKLFJNQFTJT-UHFFFAOYSA-N
XLogP5.37
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.69
LogP ≤ 55.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-[(2-chlorophenyl)methyl]-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
CID 19147870
4-N-(2,5-dichlorophenyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 19138034
6-N-(2,3-dichlorophenyl)-4-N-(2,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 19146699
4-N-[(2-chlorophenyl)methyl]-6-(2,2-dimethylhydrazinyl)pyrimidine-4,5-diamine
CID 19145647
6-N-[(2-chlorophenyl)methyl]-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142949
4-N-(4-bromophenyl)-6-N-[(2-chlorophenyl)methyl]pyrimidine-4,5,6-triamine
CID 19148860
6-N-[(2-chlorophenyl)methyl]-4-N,4-N-dimethylpyrimidine-4,5,6-triamine
CID 19137045
6-N-[(2-chlorophenyl)methyl]-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19152879
4-N-[(2-chlorophenyl)methyl]-6-N-propylpyrimidine-4,5,6-triamine
CID 19135528
N'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]-2-phenylacetohydrazide
CID 19146756
6-chloro-N-[(2-chlorophenyl)methyl]quinazolin-4-amine
CID 46879729
6-N-[(2-chlorophenyl)methyl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19148539

Frequently Asked Questions

What is the IUPAC name of 6-N-[(2-chlorophenyl)methyl]-4-N-(2,5-dichlorophenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-[(2-chlorophenyl)methyl]-4-N-(2,5-dichlorophenyl)pyrimidine-4,5,6-triamine (CID 19146799) is 6-N-[(2-chlorophenyl)methyl]-4-N-(2,5-dichlorophenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-[(2-chlorophenyl)methyl]-4-N-(2,5-dichlorophenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-[(2-chlorophenyl)methyl]-4-N-(2,5-dichlorophenyl)pyrimidine-4,5,6-triamine is Nc1c(NCc2ccccc2Cl)ncnc1Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 6-N-[(2-chlorophenyl)methyl]-4-N-(2,5-dichlorophenyl)pyrimidine-4,5,6-triamine?
The InChIKey is UFVJKLFJNQFTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl3N5/c18-11-5-6-13(20)14(7-11)25-17-15(21)16(23-9-24-17)22-8-10-3-1-2-4-12(10)19/h1-7,9H,8,21H2,(H2,22,23,24,25).
What are the key properties of 6-N-[(2-chlorophenyl)methyl]-4-N-(2,5-dichlorophenyl)pyrimidine-4,5,6-triamine?
6-N-[(2-chlorophenyl)methyl]-4-N-(2,5-dichlorophenyl)pyrimidine-4,5,6-triamine has a molecular weight of 394.69 g/mol, XLogP of 5.37, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(2-chlorophenyl)methyl]-4-N-(2,5-dichlorophenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19146799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).