2-(5-bromothiophen-2-yl)-N,6-diethylpyrimidin-4-amine

C12H14BrN3S — CID 62203466

IUPAC2-(5-bromothiophen-2-yl)-N,6-diethylpyrimidin-4-amine
SMILESCCNc1cc(CC)nc(-c2ccc(Br)s2)n1
InChIInChI=1S/C12H14BrN3S/c1-3-8-7-11(14-4-2)16-12(15-8)9-5-6-10(13)17-9/h5-7H,3-4H2,1-2H3,(H,14,15,16)
InChIKeyCRNQVOSBOBBVTG-UHFFFAOYSA-N
MW312.24 g/mol
LogP3.96
Rot. Bonds4

About 2-(5-bromothiophen-2-yl)-N,6-diethylpyrimidin-4-amine

2-(5-bromothiophen-2-yl)-N,6-diethylpyrimidin-4-amine (PubChem CID 62203466) has the molecular formula C12H14BrN3S and a molecular weight of 312.24 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-N,6-diethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-N,6-diethylpyrimidin-4-amine
PubChem CID62203466
Molecular FormulaC12H14BrN3S
Molecular Weight312.24 g/mol
Exact Mass311.01
IUPAC Name2-(5-bromothiophen-2-yl)-N,6-diethylpyrimidin-4-amine
SMILESCCNc1cc(CC)nc(-c2ccc(Br)s2)n1
InChIInChI=1S/C12H14BrN3S/c1-3-8-7-11(14-4-2)16-12(15-8)9-5-6-10(13)17-9/h5-7H,3-4H2,1-2H3,(H,14,15,16)
InChIKeyCRNQVOSBOBBVTG-UHFFFAOYSA-N
XLogP3.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-2-pyridinyl)-N,6-diethylpyrimidin-4-amine
CID 113394009
2-(5-bromofuran-2-yl)-N,6-diethylpyrimidin-4-amine
CID 62202951
2-(3-bromofuran-2-yl)-N,6-diethylpyrimidin-4-amine
CID 106889189
N-ethyl-6-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine
CID 62190978
N-ethyl-2-(5-ethylthiophen-2-yl)-6-methylpyrimidin-4-amine
CID 62321079
2-(3-bromo-4-fluorophenyl)-N,6-diethylpyrimidin-4-amine
CID 82800968
6-tert-butyl-N-ethyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-amine
CID 63480834
N,6-diethyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 63479154
N,6-diethyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine
CID 55220926
N,6-diethyl-2-(5-ethylfuran-2-yl)pyrimidin-4-amine
CID 62346694
N,6-diethyl-2-methylpyrimidin-4-amine
CID 62191281
2-(3,5-dimethoxyphenyl)-N,6-diethylpyrimidin-4-amine
CID 62202777

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-N,6-diethylpyrimidin-4-amine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-N,6-diethylpyrimidin-4-amine (CID 62203466) is 2-(5-bromothiophen-2-yl)-N,6-diethylpyrimidin-4-amine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-N,6-diethylpyrimidin-4-amine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-N,6-diethylpyrimidin-4-amine is CCNc1cc(CC)nc(-c2ccc(Br)s2)n1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-N,6-diethylpyrimidin-4-amine?
The InChIKey is CRNQVOSBOBBVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3S/c1-3-8-7-11(14-4-2)16-12(15-8)9-5-6-10(13)17-9/h5-7H,3-4H2,1-2H3,(H,14,15,16).
What are the key properties of 2-(5-bromothiophen-2-yl)-N,6-diethylpyrimidin-4-amine?
2-(5-bromothiophen-2-yl)-N,6-diethylpyrimidin-4-amine has a molecular weight of 312.24 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-N,6-diethylpyrimidin-4-amine is sourced from PubChem (CID 62203466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).