5-bromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine

C8H8Br2F3N3 — CID 107490318

IUPAC5-bromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
SMILESFC(F)(F)CN(CCBr)c1ncc(Br)cn1
InChIInChI=1S/C8H8Br2F3N3/c9-1-2-16(5-8(11,12)13)7-14-3-6(10)4-15-7/h3-4H,1-2,5H2
InChIKeyYVEAYTRZZZNFEO-UHFFFAOYSA-N
MW362.98 g/mol
LogP3.00
Rot. Bonds4

About 5-bromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine

5-bromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine (PubChem CID 107490318) has the molecular formula C8H8Br2F3N3 and a molecular weight of 362.98 g/mol. Its IUPAC name is 5-bromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
PubChem CID107490318
Molecular FormulaC8H8Br2F3N3
Molecular Weight362.98 g/mol
Exact Mass360.90
IUPAC Name5-bromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
SMILESFC(F)(F)CN(CCBr)c1ncc(Br)cn1
InChIInChI=1S/C8H8Br2F3N3/c9-1-2-16(5-8(11,12)13)7-14-3-6(10)4-15-7/h3-4H,1-2,5H2
InChIKeyYVEAYTRZZZNFEO-UHFFFAOYSA-N
XLogP3.00
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.98
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N'-(5-bromopyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494306
5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 63874582
N'-(5-fluoropyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494264
3-bromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 107490411
N-(2-bromoethyl)-3,5-difluoro-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 107490362
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 107490223
N-(2-bromoethyl)-5,6-dimethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-3-amine
CID 107490296
N'-pyrimidin-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494336
N-(2-bromoethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 107490316
5-bromo-N-(2-chloroethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 107490631
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)quinazolin-4-amine
CID 107490379
5-bromo-N-butyl-N-ethylpyrimidin-2-amine
CID 63874564

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine (CID 107490318) is 5-bromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine is FC(F)(F)CN(CCBr)c1ncc(Br)cn1.
What is the InChIKey of 5-bromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
The InChIKey is YVEAYTRZZZNFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br2F3N3/c9-1-2-16(5-8(11,12)13)7-14-3-6(10)4-15-7/h3-4H,1-2,5H2.
What are the key properties of 5-bromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
5-bromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine has a molecular weight of 362.98 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine is sourced from PubChem (CID 107490318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).