4-N-[(3-bromophenyl)methyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine

C13H12BrF3N4 — CID 106771045

IUPAC4-N-[(3-bromophenyl)methyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCN(Cc1cccc(Br)c1)c1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C13H12BrF3N4/c1-21(7-8-3-2-4-9(14)5-8)11-6-10(18)19-12(20-11)13(15,16)17/h2-6H,7H2,1H3,(H2,18,19,20)
InChIKeyMGZQSVQAQVMUNA-UHFFFAOYSA-N
MW361.17 g/mol
LogP3.48
Rot. Bonds3

About 4-N-[(3-bromophenyl)methyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine

4-N-[(3-bromophenyl)methyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106771045) has the molecular formula C13H12BrF3N4 and a molecular weight of 361.17 g/mol. Its IUPAC name is 4-N-[(3-bromophenyl)methyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(3-bromophenyl)methyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106771045
Molecular FormulaC13H12BrF3N4
Molecular Weight361.17 g/mol
Exact Mass360.02
IUPAC Name4-N-[(3-bromophenyl)methyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCN(Cc1cccc(Br)c1)c1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C13H12BrF3N4/c1-21(7-8-3-2-4-9(14)5-8)11-6-10(18)19-12(20-11)13(15,16)17/h2-6H,7H2,1H3,(H2,18,19,20)
InChIKeyMGZQSVQAQVMUNA-UHFFFAOYSA-N
XLogP3.48
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.17
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(4-fluorophenyl)methyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771038
4-N-[(4-bromothiophen-2-yl)methyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771349
4-N-[(3-bromophenyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771029
4-N-methyl-4-N-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772464
4-N-methyl-4-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770641
6-N-[(3-bromophenyl)methyl]-6-N-methylpyrido[3,2-d]pyrimidine-2,4,6-triamine
CID 13409557
4-N-butyl-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106769909
2-N-[(3-bromophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine
CID 79173849
4-N-[(3-fluorophenyl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine
CID 80765017
4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771484
4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771529
4-N-[(3-bromophenyl)methyl]-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80793975

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-bromophenyl)methyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(3-bromophenyl)methyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106771045) is 4-N-[(3-bromophenyl)methyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(3-bromophenyl)methyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(3-bromophenyl)methyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine is CN(Cc1cccc(Br)c1)c1cc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 4-N-[(3-bromophenyl)methyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is MGZQSVQAQVMUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrF3N4/c1-21(7-8-3-2-4-9(14)5-8)11-6-10(18)19-12(20-11)13(15,16)17/h2-6H,7H2,1H3,(H2,18,19,20).
What are the key properties of 4-N-[(3-bromophenyl)methyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
4-N-[(3-bromophenyl)methyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 361.17 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3-bromophenyl)methyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106771045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).