2-(3-bromofuran-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine

C12H12BrN3O — CID 106889224

IUPAC2-(3-bromofuran-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine
SMILESCNc1cc(C2CC2)nc(-c2occc2Br)n1
InChIInChI=1S/C12H12BrN3O/c1-14-10-6-9(7-2-3-7)15-12(16-10)11-8(13)4-5-17-11/h4-7H,2-3H2,1H3,(H,14,15,16)
InChIKeyWNRRWRMMHRPELJ-UHFFFAOYSA-N
MW294.15 g/mol
LogP3.42
Rot. Bonds3

About 2-(3-bromofuran-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine

2-(3-bromofuran-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine (PubChem CID 106889224) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 2-(3-bromofuran-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-bromofuran-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine
PubChem CID106889224
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name2-(3-bromofuran-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine
SMILESCNc1cc(C2CC2)nc(-c2occc2Br)n1
InChIInChI=1S/C12H12BrN3O/c1-14-10-6-9(7-2-3-7)15-12(16-10)11-8(13)4-5-17-11/h4-7H,2-3H2,1H3,(H,14,15,16)
InChIKeyWNRRWRMMHRPELJ-UHFFFAOYSA-N
XLogP3.42
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromofuran-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine?
The IUPAC name of 2-(3-bromofuran-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine (CID 106889224) is 2-(3-bromofuran-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-bromofuran-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-(3-bromofuran-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine is CNc1cc(C2CC2)nc(-c2occc2Br)n1.
What is the InChIKey of 2-(3-bromofuran-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine?
The InChIKey is WNRRWRMMHRPELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c1-14-10-6-9(7-2-3-7)15-12(16-10)11-8(13)4-5-17-11/h4-7H,2-3H2,1H3,(H,14,15,16).
What are the key properties of 2-(3-bromofuran-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine?
2-(3-bromofuran-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine has a molecular weight of 294.15 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromofuran-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 106889224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).