5-bromo-6-(difluoromethyl)-N-propan-2-ylpyrimidin-4-amine

C8H10BrF2N3 — CID 99983201

IUPAC5-bromo-6-(difluoromethyl)-N-propan-2-ylpyrimidin-4-amine
SMILESCC(C)Nc1ncnc(C(F)F)c1Br
InChIInChI=1S/C8H10BrF2N3/c1-4(2)14-8-5(9)6(7(10)11)12-3-13-8/h3-4,7H,1-2H3,(H,12,13,14)
InChIKeyYECDPBUNIGPMSZ-UHFFFAOYSA-N
MW266.09 g/mol
LogP3.00
Rot. Bonds3

About 5-bromo-6-(difluoromethyl)-N-propan-2-ylpyrimidin-4-amine

5-bromo-6-(difluoromethyl)-N-propan-2-ylpyrimidin-4-amine (PubChem CID 99983201) has the molecular formula C8H10BrF2N3 and a molecular weight of 266.09 g/mol. Its IUPAC name is 5-bromo-6-(difluoromethyl)-N-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-(difluoromethyl)-N-propan-2-ylpyrimidin-4-amine
PubChem CID99983201
Molecular FormulaC8H10BrF2N3
Molecular Weight266.09 g/mol
Exact Mass265.00
IUPAC Name5-bromo-6-(difluoromethyl)-N-propan-2-ylpyrimidin-4-amine
SMILESCC(C)Nc1ncnc(C(F)F)c1Br
InChIInChI=1S/C8H10BrF2N3/c1-4(2)14-8-5(9)6(7(10)11)12-3-13-8/h3-4,7H,1-2H3,(H,12,13,14)
InChIKeyYECDPBUNIGPMSZ-UHFFFAOYSA-N
XLogP3.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.09
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(difluoromethyl)-N-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-(difluoromethyl)-N-propan-2-ylpyrimidin-4-amine (CID 99983201) is 5-bromo-6-(difluoromethyl)-N-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-(difluoromethyl)-N-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-(difluoromethyl)-N-propan-2-ylpyrimidin-4-amine is CC(C)Nc1ncnc(C(F)F)c1Br.
What is the InChIKey of 5-bromo-6-(difluoromethyl)-N-propan-2-ylpyrimidin-4-amine?
The InChIKey is YECDPBUNIGPMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrF2N3/c1-4(2)14-8-5(9)6(7(10)11)12-3-13-8/h3-4,7H,1-2H3,(H,12,13,14).
What are the key properties of 5-bromo-6-(difluoromethyl)-N-propan-2-ylpyrimidin-4-amine?
5-bromo-6-(difluoromethyl)-N-propan-2-ylpyrimidin-4-amine has a molecular weight of 266.09 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(difluoromethyl)-N-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 99983201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).