4-N-[(4-bromophenyl)methyl]-4-N,6-dimethylpyrimidine-2,4-diamine

C13H15BrN4 — CID 112726058

IUPAC4-N-[(4-bromophenyl)methyl]-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCc1cc(N(C)Cc2ccc(Br)cc2)nc(N)n1
InChIInChI=1S/C13H15BrN4/c1-9-7-12(17-13(15)16-9)18(2)8-10-3-5-11(14)6-4-10/h3-7H,8H2,1-2H3,(H2,15,16,17)
InChIKeyYFTGKEVCCUQFLU-UHFFFAOYSA-N
MW307.20 g/mol
LogP2.77
Rot. Bonds3

About 4-N-[(4-bromophenyl)methyl]-4-N,6-dimethylpyrimidine-2,4-diamine

4-N-[(4-bromophenyl)methyl]-4-N,6-dimethylpyrimidine-2,4-diamine (PubChem CID 112726058) has the molecular formula C13H15BrN4 and a molecular weight of 307.20 g/mol. Its IUPAC name is 4-N-[(4-bromophenyl)methyl]-4-N,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(4-bromophenyl)methyl]-4-N,6-dimethylpyrimidine-2,4-diamine
PubChem CID112726058
Molecular FormulaC13H15BrN4
Molecular Weight307.20 g/mol
Exact Mass306.05
IUPAC Name4-N-[(4-bromophenyl)methyl]-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCc1cc(N(C)Cc2ccc(Br)cc2)nc(N)n1
InChIInChI=1S/C13H15BrN4/c1-9-7-12(17-13(15)16-9)18(2)8-10-3-5-11(14)6-4-10/h3-7H,8H2,1-2H3,(H2,15,16,17)
InChIKeyYFTGKEVCCUQFLU-UHFFFAOYSA-N
XLogP2.77
TPSA55.04 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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(4-chlorophenyl)methyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 113221848
4-N-ethyl-4-N,6-dimethylpyrimidine-2,4-diamine
CID 80776362
6-chloro-4-N-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 31537685
N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine
CID 80896376
2-[[(4-bromophenyl)methyl-methylamino]methyl]-6-methylpyrimidin-4-amine
CID 80657866
2-N-[(4-bromophenyl)methyl]-6-chloro-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80794390
N-benzyl-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine
CID 80918150
2-hydrazinyl-N,6-dimethyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 80906970
N-[(4-bromophenyl)methyl]-6-chloro-2-ethyl-N-methylpyrimidin-4-amine
CID 80935805
N-[(4-bromophenyl)methyl]-6-hydrazinyl-N-methylpyrazin-2-amine
CID 80895829
4-N-[(4-chlorophenyl)methyl]-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564315
6-chloro-4-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 31537715

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-bromophenyl)methyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(4-bromophenyl)methyl]-4-N,6-dimethylpyrimidine-2,4-diamine (CID 112726058) is 4-N-[(4-bromophenyl)methyl]-4-N,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(4-bromophenyl)methyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(4-bromophenyl)methyl]-4-N,6-dimethylpyrimidine-2,4-diamine is Cc1cc(N(C)Cc2ccc(Br)cc2)nc(N)n1.
What is the InChIKey of 4-N-[(4-bromophenyl)methyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is YFTGKEVCCUQFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4/c1-9-7-12(17-13(15)16-9)18(2)8-10-3-5-11(14)6-4-10/h3-7H,8H2,1-2H3,(H2,15,16,17).
What are the key properties of 4-N-[(4-bromophenyl)methyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
4-N-[(4-bromophenyl)methyl]-4-N,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 307.20 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-bromophenyl)methyl]-4-N,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 112726058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).