6-bromo-2-N-methyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine

C7H8BrF3N4 — CID 116796487

IUPAC6-bromo-2-N-methyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
SMILESCN(CC(F)(F)F)c1nc(N)cc(Br)n1
InChIInChI=1S/C7H8BrF3N4/c1-15(3-7(9,10)11)6-13-4(8)2-5(12)14-6/h2H,3H2,1H3,(H2,12,13,14)
InChIKeyIIXCSPHJAPSWQQ-UHFFFAOYSA-N
MW285.07 g/mol
LogP1.82
Rot. Bonds2

About 6-bromo-2-N-methyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine

6-bromo-2-N-methyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine (PubChem CID 116796487) has the molecular formula C7H8BrF3N4 and a molecular weight of 285.07 g/mol. Its IUPAC name is 6-bromo-2-N-methyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-bromo-2-N-methyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
PubChem CID116796487
Molecular FormulaC7H8BrF3N4
Molecular Weight285.07 g/mol
Exact Mass283.99
IUPAC Name6-bromo-2-N-methyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
SMILESCN(CC(F)(F)F)c1nc(N)cc(Br)n1
InChIInChI=1S/C7H8BrF3N4/c1-15(3-7(9,10)11)6-13-4(8)2-5(12)14-6/h2H,3H2,1H3,(H2,12,13,14)
InChIKeyIIXCSPHJAPSWQQ-UHFFFAOYSA-N
XLogP1.82
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.07
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-2-N-ethyl-2-N-methylpyrimidine-2,4-diamine
CID 116796401
6-bromo-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 116796338
1-[(4-amino-6-bromopyrimidin-2-yl)-methylamino]propan-2-ol
CID 116796778
6-bromo-2-N-(cyclopropylmethyl)-2-N-methylpyrimidine-2,4-diamine
CID 116796497
2-N-benzyl-6-bromo-2-N-methylpyrimidine-2,4-diamine
CID 116796269
6-bromo-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine
CID 116796517
5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 63874582
4-[[(4-amino-6-bromopyrimidin-2-yl)-methylamino]methyl]oxan-4-ol
CID 114953948
4-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 107541680
6-bromo-2-N-cyclobutyl-2-N-methylpyrimidine-2,4-diamine
CID 116797489
4-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 80791966
6-bromo-2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyrimidine-2,4-diamine
CID 116797087

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-N-methyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-bromo-2-N-methyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine (CID 116796487) is 6-bromo-2-N-methyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-bromo-2-N-methyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-bromo-2-N-methyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine is CN(CC(F)(F)F)c1nc(N)cc(Br)n1.
What is the InChIKey of 6-bromo-2-N-methyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine?
The InChIKey is IIXCSPHJAPSWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrF3N4/c1-15(3-7(9,10)11)6-13-4(8)2-5(12)14-6/h2H,3H2,1H3,(H2,12,13,14).
What are the key properties of 6-bromo-2-N-methyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine?
6-bromo-2-N-methyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine has a molecular weight of 285.07 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-N-methyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 116796487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).