5-bromo-6-cyclopropyl-2-(furan-3-yl)pyrimidin-4-amine

C11H10BrN3O — CID 66304167

IUPAC5-bromo-6-cyclopropyl-2-(furan-3-yl)pyrimidin-4-amine
SMILESNc1nc(-c2ccoc2)nc(C2CC2)c1Br
InChIInChI=1S/C11H10BrN3O/c12-8-9(6-1-2-6)14-11(15-10(8)13)7-3-4-16-5-7/h3-6H,1-2H2,(H2,13,14,15)
InChIKeyRSOTXVPZYQGHEJ-UHFFFAOYSA-N
MW280.12 g/mol
LogP2.96
Rot. Bonds2

About 5-bromo-6-cyclopropyl-2-(furan-3-yl)pyrimidin-4-amine

5-bromo-6-cyclopropyl-2-(furan-3-yl)pyrimidin-4-amine (PubChem CID 66304167) has the molecular formula C11H10BrN3O and a molecular weight of 280.12 g/mol. Its IUPAC name is 5-bromo-6-cyclopropyl-2-(furan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-cyclopropyl-2-(furan-3-yl)pyrimidin-4-amine
PubChem CID66304167
Molecular FormulaC11H10BrN3O
Molecular Weight280.12 g/mol
Exact Mass279.00
IUPAC Name5-bromo-6-cyclopropyl-2-(furan-3-yl)pyrimidin-4-amine
SMILESNc1nc(-c2ccoc2)nc(C2CC2)c1Br
InChIInChI=1S/C11H10BrN3O/c12-8-9(6-1-2-6)14-11(15-10(8)13)7-3-4-16-5-7/h3-6H,1-2H2,(H2,13,14,15)
InChIKeyRSOTXVPZYQGHEJ-UHFFFAOYSA-N
XLogP2.96
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,5-dihydro-1H-pyrrol-1-yl)-7-(3-furylmethyl)-2-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 56903928
4-Chloro-6-ethyl-2-(furan-3-yl)pyrimidine
CID 63204889
2-cyclopropyl-N-(3-furylmethyl)-N-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 56888006
2-ethyl-7-(furan-3-ylmethyl)-N-[[(3R)-oxolan-3-yl]methyl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
CID 95861176
5-Fluoro-2-(furan-3-yl)-6-methylpyrimidin-4-amine
CID 66000372
6-ethyl-5-fluoro-N-(furan-3-ylmethyl)pyrimidin-4-amine
CID 103879969
4-[[5,6-Diethyl-2-(furan-3-yl)pyrimidin-4-yl]amino]cyclohexa-2,4-diene-1-carboxylic acid;ethane
CID 143331897
2-(Furan-3-yl)-4-propan-2-ylpyrimidine
CID 177268706
2-(Furan-3-yl)-6-methylpyrimidin-4-amine
CID 45788181
2-Cyclopropyl-6-(2-methylfuran-3-yl)pyrimidin-4-amine
CID 61782748
N-ethyl-2-(furan-3-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 63204164
2-(furan-3-yl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 63204165

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-cyclopropyl-2-(furan-3-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-cyclopropyl-2-(furan-3-yl)pyrimidin-4-amine (CID 66304167) is 5-bromo-6-cyclopropyl-2-(furan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-cyclopropyl-2-(furan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-cyclopropyl-2-(furan-3-yl)pyrimidin-4-amine is Nc1nc(-c2ccoc2)nc(C2CC2)c1Br.
What is the InChIKey of 5-bromo-6-cyclopropyl-2-(furan-3-yl)pyrimidin-4-amine?
The InChIKey is RSOTXVPZYQGHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O/c12-8-9(6-1-2-6)14-11(15-10(8)13)7-3-4-16-5-7/h3-6H,1-2H2,(H2,13,14,15).
What are the key properties of 5-bromo-6-cyclopropyl-2-(furan-3-yl)pyrimidin-4-amine?
5-bromo-6-cyclopropyl-2-(furan-3-yl)pyrimidin-4-amine has a molecular weight of 280.12 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-cyclopropyl-2-(furan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 66304167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).