4-N-[(4-bromothiophen-2-yl)methyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine

C11H10BrF3N4S — CID 106771349

IUPAC4-N-[(4-bromothiophen-2-yl)methyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCN(Cc1cc(Br)cs1)c1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C11H10BrF3N4S/c1-19(4-7-2-6(12)5-20-7)9-3-8(16)17-10(18-9)11(13,14)15/h2-3,5H,4H2,1H3,(H2,16,17,18)
InChIKeyHUWMDSYKDMKDAB-UHFFFAOYSA-N
MW367.19 g/mol
LogP3.54
Rot. Bonds3

About 4-N-[(4-bromothiophen-2-yl)methyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine

4-N-[(4-bromothiophen-2-yl)methyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106771349) has the molecular formula C11H10BrF3N4S and a molecular weight of 367.19 g/mol. Its IUPAC name is 4-N-[(4-bromothiophen-2-yl)methyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(4-bromothiophen-2-yl)methyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106771349
Molecular FormulaC11H10BrF3N4S
Molecular Weight367.19 g/mol
Exact Mass365.98
IUPAC Name4-N-[(4-bromothiophen-2-yl)methyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCN(Cc1cc(Br)cs1)c1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C11H10BrF3N4S/c1-19(4-7-2-6(12)5-20-7)9-3-8(16)17-10(18-9)11(13,14)15/h2-3,5H,4H2,1H3,(H2,16,17,18)
InChIKeyHUWMDSYKDMKDAB-UHFFFAOYSA-N
XLogP3.54
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.19
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(4-bromothiophen-2-yl)methyl]-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80805934
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-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771045
4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771484
4-N-methyl-4-N-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772464
4-N-[(4-fluorophenyl)methyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771038
4-N-methyl-4-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770641
N-[(4-bromothiophen-2-yl)methyl]-2-tert-butyl-6-chloro-N-methylpyrimidin-4-amine
CID 80953513
4-N-butyl-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106769909
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-methylacetamide
CID 106770720
4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772794
4-N,4-N-bis(2-methylpropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771018

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-bromothiophen-2-yl)methyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(4-bromothiophen-2-yl)methyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106771349) is 4-N-[(4-bromothiophen-2-yl)methyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(4-bromothiophen-2-yl)methyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(4-bromothiophen-2-yl)methyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine is CN(Cc1cc(Br)cs1)c1cc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 4-N-[(4-bromothiophen-2-yl)methyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is HUWMDSYKDMKDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF3N4S/c1-19(4-7-2-6(12)5-20-7)9-3-8(16)17-10(18-9)11(13,14)15/h2-3,5H,4H2,1H3,(H2,16,17,18).
What are the key properties of 4-N-[(4-bromothiophen-2-yl)methyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
4-N-[(4-bromothiophen-2-yl)methyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 367.19 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-bromothiophen-2-yl)methyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106771349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).