4-N-(3-bromophenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine

C17H15BrClN5 — CID 19150563

IUPAC4-N-(3-bromophenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine
SMILESNc1c(NCc2ccc(Cl)cc2)ncnc1Nc1cccc(Br)c1
InChIInChI=1S/C17H15BrClN5/c18-12-2-1-3-14(8-12)24-17-15(20)16(22-10-23-17)21-9-11-4-6-13(19)7-5-11/h1-8,10H,9,20H2,(H2,21,22,23,24)
InChIKeyMVHSJSDDDBLDGC-UHFFFAOYSA-N
MW404.70 g/mol
LogP4.83
Rot. Bonds5

About 4-N-(3-bromophenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine

4-N-(3-bromophenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine (PubChem CID 19150563) has the molecular formula C17H15BrClN5 and a molecular weight of 404.70 g/mol. Its IUPAC name is 4-N-(3-bromophenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(3-bromophenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine
PubChem CID19150563
Molecular FormulaC17H15BrClN5
Molecular Weight404.70 g/mol
Exact Mass403.02
IUPAC Name4-N-(3-bromophenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine
SMILESNc1c(NCc2ccc(Cl)cc2)ncnc1Nc1cccc(Br)c1
InChIInChI=1S/C17H15BrClN5/c18-12-2-1-3-14(8-12)24-17-15(20)16(22-10-23-17)21-9-11-4-6-13(19)7-5-11/h1-8,10H,9,20H2,(H2,21,22,23,24)
InChIKeyMVHSJSDDDBLDGC-UHFFFAOYSA-N
XLogP4.83
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.70
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-[(4-chlorophenyl)methyl]-4-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22543926
4-N-(3-bromophenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,6-diamine
CID 112860035
4-N-(3-chloro-4-fluorophenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine
CID 19150565
4-N-(4-bromo-2-fluorophenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine
CID 19150562
ethyl 3-[[5-amino-6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]amino]benzoate
CID 19150572
6-N-(3-bromophenyl)-4-N-(3-chloro-4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19152959
6-N-[(4-chlorophenyl)methyl]-4-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544359
4-N-(3-bromophenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544393
6-N-benzyl-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544898
6-N-[(4-chlorophenyl)methyl]-4-N-[4-chloro-3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19150564
4-N-(5-chloro-2-methylphenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine
CID 22547277
6-N-[(4-chlorophenyl)methyl]-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
CID 19147805

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromophenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(3-bromophenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine (CID 19150563) is 4-N-(3-bromophenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(3-bromophenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(3-bromophenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine is Nc1c(NCc2ccc(Cl)cc2)ncnc1Nc1cccc(Br)c1.
What is the InChIKey of 4-N-(3-bromophenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine?
The InChIKey is MVHSJSDDDBLDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClN5/c18-12-2-1-3-14(8-12)24-17-15(20)16(22-10-23-17)21-9-11-4-6-13(19)7-5-11/h1-8,10H,9,20H2,(H2,21,22,23,24).
What are the key properties of 4-N-(3-bromophenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine?
4-N-(3-bromophenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine has a molecular weight of 404.70 g/mol, XLogP of 4.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromophenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19150563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).