5-bromo-2-N-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine

C8H10BrF3N4 — CID 80776985

IUPAC5-bromo-2-N-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(Br)c(NCC(F)(F)F)n1
InChIInChI=1S/C8H10BrF3N4/c1-2-13-7-14-3-5(9)6(16-7)15-4-8(10,11)12/h3H,2,4H2,1H3,(H2,13,14,15,16)
InChIKeyDRDYDWXALRBDHV-UHFFFAOYSA-N
MW299.09 g/mol
LogP2.65
Rot. Bonds4

About 5-bromo-2-N-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine

5-bromo-2-N-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine (PubChem CID 80776985) has the molecular formula C8H10BrF3N4 and a molecular weight of 299.09 g/mol. Its IUPAC name is 5-bromo-2-N-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-2-N-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
PubChem CID80776985
Molecular FormulaC8H10BrF3N4
Molecular Weight299.09 g/mol
Exact Mass298.00
IUPAC Name5-bromo-2-N-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(Br)c(NCC(F)(F)F)n1
InChIInChI=1S/C8H10BrF3N4/c1-2-13-7-14-3-5(9)6(16-7)15-4-8(10,11)12/h3H,2,4H2,1H3,(H2,13,14,15,16)
InChIKeyDRDYDWXALRBDHV-UHFFFAOYSA-N
XLogP2.65
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.09
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-N-ethyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-diamine
CID 114169916
5-bromo-2-N-ethyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-2,4-diamine
CID 80811705
2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 114009560
5-bromo-2-N-ethyl-4-N-[(4-ethylphenyl)methyl]pyrimidine-2,4-diamine
CID 106901022
5-bromo-4-N-[(4-bromothiophen-2-yl)methyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80836657
5-bromo-4-N-(2-cyclopentylethyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80790917
5-bromo-4-N-[2-(3,5-difluorophenyl)ethyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80803729
5-bromo-4-N-(2-tert-butylphenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80822328
3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366608
5-bromo-2-N-ethyl-4-N-(4-methoxybutyl)pyrimidine-2,4-diamine
CID 80813928
5-bromo-4-N-(3-ethoxypropyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80773193
4-N-(2,2-dimethylbutyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 103466679

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-2-N-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine (CID 80776985) is 5-bromo-2-N-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-2-N-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-2-N-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine is CCNc1ncc(Br)c(NCC(F)(F)F)n1.
What is the InChIKey of 5-bromo-2-N-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine?
The InChIKey is DRDYDWXALRBDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrF3N4/c1-2-13-7-14-3-5(9)6(16-7)15-4-8(10,11)12/h3H,2,4H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-bromo-2-N-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine?
5-bromo-2-N-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine has a molecular weight of 299.09 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80776985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).