2-N-[(4-bromophenyl)methyl]-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine

C12H13BrClN5 — CID 80754839

IUPAC2-N-[(4-bromophenyl)methyl]-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(NCc2ccc(Br)cc2)n1
InChIInChI=1S/C12H13BrClN5/c1-2-15-11-17-10(14)18-12(19-11)16-7-8-3-5-9(13)6-4-8/h3-6H,2,7H2,1H3,(H2,15,16,17,18,19)
InChIKeyHNVYVFWDXNRNRL-UHFFFAOYSA-N
MW342.63 g/mol
LogP3.33
Rot. Bonds5

About 2-N-[(4-bromophenyl)methyl]-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine

2-N-[(4-bromophenyl)methyl]-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine (PubChem CID 80754839) has the molecular formula C12H13BrClN5 and a molecular weight of 342.63 g/mol. Its IUPAC name is 2-N-[(4-bromophenyl)methyl]-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(4-bromophenyl)methyl]-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine
PubChem CID80754839
Molecular FormulaC12H13BrClN5
Molecular Weight342.63 g/mol
Exact Mass341.00
IUPAC Name2-N-[(4-bromophenyl)methyl]-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(NCc2ccc(Br)cc2)n1
InChIInChI=1S/C12H13BrClN5/c1-2-15-11-17-10(14)18-12(19-11)16-7-8-3-5-9(13)6-4-8/h3-6H,2,7H2,1H3,(H2,15,16,17,18,19)
InChIKeyHNVYVFWDXNRNRL-UHFFFAOYSA-N
XLogP3.33
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.63
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N-[(4-bromophenyl)methyl]-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 19377260
6-chloro-2-N,4-N-diethyl-(1,3,5-15N3)1,3,5-triazine-2,4-diamine
CID 91927796
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 5216
6-chloro-2-N-[(3,4-difluorophenyl)methyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80804455
butane;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 87719227
2-N-benzyl-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 7589426
6-N-[(4-bromophenyl)methyl]-2-N-ethylpyridine-2,6-diamine
CID 80755274
6-chloro-2-N-(2,6-dibromophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 107604501
N-[(4-bromophenyl)methyl]-2-chloro-6-methylpyrimidin-4-amine
CID 62475587
6-chloro-2-N-[(2-chlorophenyl)methyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80786435
6-chloro-4-N-ethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 6452884
6-chloro-4-N-ethyl-2-N-[(2-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 80776835

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-bromophenyl)methyl]-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[(4-bromophenyl)methyl]-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine (CID 80754839) is 2-N-[(4-bromophenyl)methyl]-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[(4-bromophenyl)methyl]-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[(4-bromophenyl)methyl]-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine is CCNc1nc(Cl)nc(NCc2ccc(Br)cc2)n1.
What is the InChIKey of 2-N-[(4-bromophenyl)methyl]-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is HNVYVFWDXNRNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClN5/c1-2-15-11-17-10(14)18-12(19-11)16-7-8-3-5-9(13)6-4-8/h3-6H,2,7H2,1H3,(H2,15,16,17,18,19).
What are the key properties of 2-N-[(4-bromophenyl)methyl]-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine?
2-N-[(4-bromophenyl)methyl]-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 342.63 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-bromophenyl)methyl]-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80754839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).