5-bromo-N-(2,2-difluoropropyl)pyrimidin-2-amine

C7H8BrF2N3 — CID 126993043

IUPAC5-bromo-N-(2,2-difluoropropyl)pyrimidin-2-amine
SMILESCC(F)(F)CNc1ncc(Br)cn1
InChIInChI=1S/C7H8BrF2N3/c1-7(9,10)4-13-6-11-2-5(8)3-12-6/h2-3H,4H2,1H3,(H,11,12,13)
InChIKeyCONQVQUWLBEFHS-UHFFFAOYSA-N
MW252.06 g/mol
LogP2.31
Rot. Bonds3

About 5-bromo-N-(2,2-difluoropropyl)pyrimidin-2-amine

5-bromo-N-(2,2-difluoropropyl)pyrimidin-2-amine (PubChem CID 126993043) has the molecular formula C7H8BrF2N3 and a molecular weight of 252.06 g/mol. Its IUPAC name is 5-bromo-N-(2,2-difluoropropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2,2-difluoropropyl)pyrimidin-2-amine
PubChem CID126993043
Molecular FormulaC7H8BrF2N3
Molecular Weight252.06 g/mol
Exact Mass250.99
IUPAC Name5-bromo-N-(2,2-difluoropropyl)pyrimidin-2-amine
SMILESCC(F)(F)CNc1ncc(Br)cn1
InChIInChI=1S/C7H8BrF2N3/c1-7(9,10)4-13-6-11-2-5(8)3-12-6/h2-3H,4H2,1H3,(H,11,12,13)
InChIKeyCONQVQUWLBEFHS-UHFFFAOYSA-N
XLogP2.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.06
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine
CID 79563037
N-(5-bromopyrimidin-2-yl)-2,2-dimethylpentane-1,5-diamine
CID 106142919
5-bromo-N-(5,5,5-trifluoropentyl)pyrimidin-2-amine
CID 115486549
5-bromo-2-(2-fluoropropan-2-yl)pyrimidine
CID 118138846
5-bromo-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]pyrimidin-2-amine
CID 71996382
5-bromo-N-[(4-methylphenyl)methyl]pyrimidin-2-amine
CID 63873584
5-bromo-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
CID 63871875
(2S)-4-[(5-bromopyrimidin-2-yl)amino]butan-2-ol
CID 131107121
5-bromo-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine
CID 171705268
3-amino-4-[(5-bromopyrimidin-2-yl)amino]butan-2-ol
CID 64541504
5-[(5-bromopyrimidin-2-yl)amino]pentan-2-ol
CID 107269196
4-[(5-bromopyrimidin-2-yl)amino]-3-methylbutan-1-ol
CID 66106214

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,2-difluoropropyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-(2,2-difluoropropyl)pyrimidin-2-amine (CID 126993043) is 5-bromo-N-(2,2-difluoropropyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-(2,2-difluoropropyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-(2,2-difluoropropyl)pyrimidin-2-amine is CC(F)(F)CNc1ncc(Br)cn1.
What is the InChIKey of 5-bromo-N-(2,2-difluoropropyl)pyrimidin-2-amine?
The InChIKey is CONQVQUWLBEFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrF2N3/c1-7(9,10)4-13-6-11-2-5(8)3-12-6/h2-3H,4H2,1H3,(H,11,12,13).
What are the key properties of 5-bromo-N-(2,2-difluoropropyl)pyrimidin-2-amine?
5-bromo-N-(2,2-difluoropropyl)pyrimidin-2-amine has a molecular weight of 252.06 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,2-difluoropropyl)pyrimidin-2-amine is sourced from PubChem (CID 126993043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).