2-(3-bromofuran-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine

C13H16BrN3O — CID 106889181

IUPAC2-(3-bromofuran-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine
SMILESCCNc1nc(-c2occc2Br)nc(C)c1CC
InChIInChI=1S/C13H16BrN3O/c1-4-9-8(3)16-13(17-12(9)15-5-2)11-10(14)6-7-18-11/h6-7H,4-5H2,1-3H3,(H,15,16,17)
InChIKeyBGMDNXQWGCUNGU-UHFFFAOYSA-N
MW310.19 g/mol
LogP3.80
Rot. Bonds4

About 2-(3-bromofuran-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine

2-(3-bromofuran-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine (PubChem CID 106889181) has the molecular formula C13H16BrN3O and a molecular weight of 310.19 g/mol. Its IUPAC name is 2-(3-bromofuran-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-bromofuran-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine
PubChem CID106889181
Molecular FormulaC13H16BrN3O
Molecular Weight310.19 g/mol
Exact Mass309.05
IUPAC Name2-(3-bromofuran-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine
SMILESCCNc1nc(-c2occc2Br)nc(C)c1CC
InChIInChI=1S/C13H16BrN3O/c1-4-9-8(3)16-13(17-12(9)15-5-2)11-10(14)6-7-18-11/h6-7H,4-5H2,1-3H3,(H,15,16,17)
InChIKeyBGMDNXQWGCUNGU-UHFFFAOYSA-N
XLogP3.80
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-6-methyl-2-(3-methylfuran-2-yl)-N-propylpyrimidin-4-amine
CID 104806638
2-(2-bromophenyl)-N,5-diethyl-6-methylpyrimidin-4-amine
CID 55219975
2-(3-bromofuran-2-yl)-N,6-diethylpyrimidin-4-amine
CID 106889189
2-(3-bromofuran-2-yl)-N-ethyl-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine
CID 106889288
N,5-diethyl-2-(4-fluorophenyl)-6-methylpyrimidin-4-amine
CID 62192315
N,5-diethyl-2-(5-ethylfuran-2-yl)-6-methylpyrimidin-4-amine
CID 63485450
N,5-diethyl-6-methyl-2-(2-methylphenyl)pyrimidin-4-amine
CID 62191964
2-(4-bromo-5-chlorothiophen-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine
CID 102843763
N-[[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]methyl]ethanamine
CID 113455509
N,5-diethyl-6-methyl-2-(5-methyl-2-pyridinyl)pyrimidin-4-amine
CID 81311692
N-ethyl-5,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-4-amine
CID 104790643
5-bromo-N-ethyl-2-(3-methylfuran-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine
CID 104806898

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromofuran-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(3-bromofuran-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine (CID 106889181) is 2-(3-bromofuran-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-bromofuran-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(3-bromofuran-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine is CCNc1nc(-c2occc2Br)nc(C)c1CC.
What is the InChIKey of 2-(3-bromofuran-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine?
The InChIKey is BGMDNXQWGCUNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O/c1-4-9-8(3)16-13(17-12(9)15-5-2)11-10(14)6-7-18-11/h6-7H,4-5H2,1-3H3,(H,15,16,17).
What are the key properties of 2-(3-bromofuran-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine?
2-(3-bromofuran-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine has a molecular weight of 310.19 g/mol, XLogP of 3.80, 4 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)-N,5-diethyl-6-methylpyrimidin-4-amine is sourced from PubChem (CID 106889181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).