4-[(3-bromophenyl)methyl]-6-propan-2-yl-1,3,5-triazin-2-amine

C13H15BrN4 — CID 55251813

IUPAC4-[(3-bromophenyl)methyl]-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(N)nc(Cc2cccc(Br)c2)n1
InChIInChI=1S/C13H15BrN4/c1-8(2)12-16-11(17-13(15)18-12)7-9-4-3-5-10(14)6-9/h3-6,8H,7H2,1-2H3,(H2,15,16,17,18)
InChIKeyBGXIYUWODHGCLM-UHFFFAOYSA-N
MW307.20 g/mol
LogP2.93
Rot. Bonds3

About 4-[(3-bromophenyl)methyl]-6-propan-2-yl-1,3,5-triazin-2-amine

4-[(3-bromophenyl)methyl]-6-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 55251813) has the molecular formula C13H15BrN4 and a molecular weight of 307.20 g/mol. Its IUPAC name is 4-[(3-bromophenyl)methyl]-6-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(3-bromophenyl)methyl]-6-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID55251813
Molecular FormulaC13H15BrN4
Molecular Weight307.20 g/mol
Exact Mass306.05
IUPAC Name4-[(3-bromophenyl)methyl]-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(N)nc(Cc2cccc(Br)c2)n1
InChIInChI=1S/C13H15BrN4/c1-8(2)12-16-11(17-13(15)18-12)7-9-4-3-5-10(14)6-9/h3-6,8H,7H2,1-2H3,(H2,15,16,17,18)
InChIKeyBGXIYUWODHGCLM-UHFFFAOYSA-N
XLogP2.93
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.20
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-bromophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 66301314
4-[(3-chlorophenyl)methyl]-6-(dichloromethyl)-1,3,5-triazin-2-amine
CID 54670841
2-[(3-bromophenyl)methyl]-4-chloro-6-methyl-5-propan-2-ylpyrimidine
CID 55185799
4-N-[(3-bromophenyl)methyl]-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961112
2-[(3-bromophenyl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351504
2-[2-[(3-bromophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine
CID 62746332
1-[2-[(3-bromophenyl)methyl]-6-methylpyrimidin-4-yl]-N-methylmethanamine
CID 62741909
6-[(3-bromophenyl)methoxy]-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 82807711
3-[(3-bromophenyl)methyl]-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine
CID 62595611
1-[2-[(3-bromophenyl)methyl]-4-methylpyrimidin-5-yl]-N-ethylethanamine
CID 62771903
1-[3-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 63349046
2-amino-4-[(3-bromophenyl)methyl]-1H-pyrimidin-6-one
CID 135966949

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromophenyl)methyl]-6-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(3-bromophenyl)methyl]-6-propan-2-yl-1,3,5-triazin-2-amine (CID 55251813) is 4-[(3-bromophenyl)methyl]-6-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(3-bromophenyl)methyl]-6-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(3-bromophenyl)methyl]-6-propan-2-yl-1,3,5-triazin-2-amine is CC(C)c1nc(N)nc(Cc2cccc(Br)c2)n1.
What is the InChIKey of 4-[(3-bromophenyl)methyl]-6-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is BGXIYUWODHGCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4/c1-8(2)12-16-11(17-13(15)18-12)7-9-4-3-5-10(14)6-9/h3-6,8H,7H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-[(3-bromophenyl)methyl]-6-propan-2-yl-1,3,5-triazin-2-amine?
4-[(3-bromophenyl)methyl]-6-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 307.20 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromophenyl)methyl]-6-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 55251813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).