N-[(3-bromothiophen-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine

C10H7BrF3N3S — CID 78983918

IUPACN-[(3-bromothiophen-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(NCc2sccc2Br)n1
InChIInChI=1S/C10H7BrF3N3S/c11-6-2-4-18-7(6)5-16-9-15-3-1-8(17-9)10(12,13)14/h1-4H,5H2,(H,15,16,17)
InChIKeyBSLFPLVDYVCOJY-UHFFFAOYSA-N
MW338.15 g/mol
LogP3.93
Rot. Bonds3

About N-[(3-bromothiophen-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine

N-[(3-bromothiophen-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 78983918) has the molecular formula C10H7BrF3N3S and a molecular weight of 338.15 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID78983918
Molecular FormulaC10H7BrF3N3S
Molecular Weight338.15 g/mol
Exact Mass336.95
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(NCc2sccc2Br)n1
InChIInChI=1S/C10H7BrF3N3S/c11-6-2-4-18-7(6)5-16-9-15-3-1-8(17-9)10(12,13)14/h1-4H,5H2,(H,15,16,17)
InChIKeyBSLFPLVDYVCOJY-UHFFFAOYSA-N
XLogP3.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.15
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 78983918) is N-[(3-bromothiophen-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1ccnc(NCc2sccc2Br)n1.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is BSLFPLVDYVCOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF3N3S/c11-6-2-4-18-7(6)5-16-9-15-3-1-8(17-9)10(12,13)14/h1-4H,5H2,(H,15,16,17).
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-[(3-bromothiophen-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 338.15 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 78983918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).