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

C17H15Cl2N5 — CID 22544898

IUPAC6-N-benzyl-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
SMILESNc1c(NCc2ccccc2)ncnc1Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H15Cl2N5/c18-12-6-13(19)8-14(7-12)24-17-15(20)16(22-10-23-17)21-9-11-4-2-1-3-5-11/h1-8,10H,9,20H2,(H2,21,22,23,24)
InChIKeyJOEOHEMWSUHBCP-UHFFFAOYSA-N
MW360.25 g/mol
LogP4.72
Rot. Bonds5

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

6-N-benzyl-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine (PubChem CID 22544898) has the molecular formula C17H15Cl2N5 and a molecular weight of 360.25 g/mol. Its IUPAC name is 6-N-benzyl-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-benzyl-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
PubChem CID22544898
Molecular FormulaC17H15Cl2N5
Molecular Weight360.25 g/mol
Exact Mass359.07
IUPAC Name6-N-benzyl-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
SMILESNc1c(NCc2ccccc2)ncnc1Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H15Cl2N5/c18-12-6-13(19)8-14(7-12)24-17-15(20)16(22-10-23-17)21-9-11-4-2-1-3-5-11/h1-8,10H,9,20H2,(H2,21,22,23,24)
InChIKeyJOEOHEMWSUHBCP-UHFFFAOYSA-N
XLogP4.72
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3,5-dichlorophenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542701
6-N-benzyl-4-N-(3-chloro-4-methylphenyl)pyrimidine-4,5,6-triamine
CID 22546566
6-N-(3-chlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544979
4-N-(3-bromophenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine
CID 19150563
4-N-benzyl-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19136176
4-N-(3-chloro-4-fluorophenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine
CID 19150565
6-N-[(4-chlorophenyl)methyl]-4-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544359
6-N-butyl-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544891
6-N-[(4-chlorophenyl)methyl]-4-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22543926
6-N-[(4-chlorophenyl)methyl]-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
CID 19147805
6-N-(4-bromophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544983
4-N-(3,5-dichlorophenyl)-6-N-hexadecylpyrimidine-4,5,6-triamine
CID 22544934

Frequently Asked Questions

What is the IUPAC name of 6-N-benzyl-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-benzyl-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine (CID 22544898) is 6-N-benzyl-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-benzyl-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-benzyl-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine is Nc1c(NCc2ccccc2)ncnc1Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 6-N-benzyl-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine?
The InChIKey is JOEOHEMWSUHBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N5/c18-12-6-13(19)8-14(7-12)24-17-15(20)16(22-10-23-17)21-9-11-4-2-1-3-5-11/h1-8,10H,9,20H2,(H2,21,22,23,24).
What are the key properties of 6-N-benzyl-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine?
6-N-benzyl-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine has a molecular weight of 360.25 g/mol, XLogP of 4.72, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-benzyl-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22544898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).