2-(5-bromo-2-pyridinyl)-N,6-diethylpyrimidin-4-amine

C13H15BrN4 — CID 113394009

IUPAC2-(5-bromo-2-pyridinyl)-N,6-diethylpyrimidin-4-amine
SMILESCCNc1cc(CC)nc(-c2ccc(Br)cn2)n1
InChIInChI=1S/C13H15BrN4/c1-3-10-7-12(15-4-2)18-13(17-10)11-6-5-9(14)8-16-11/h5-8H,3-4H2,1-2H3,(H,15,17,18)
InChIKeyHTJJBVCYTOPMLJ-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.30
Rot. Bonds4

About 2-(5-bromo-2-pyridinyl)-N,6-diethylpyrimidin-4-amine

2-(5-bromo-2-pyridinyl)-N,6-diethylpyrimidin-4-amine (PubChem CID 113394009) has the molecular formula C13H15BrN4 and a molecular weight of 307.19 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-N,6-diethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-N,6-diethylpyrimidin-4-amine
PubChem CID113394009
Molecular FormulaC13H15BrN4
Molecular Weight307.19 g/mol
Exact Mass306.05
IUPAC Name2-(5-bromo-2-pyridinyl)-N,6-diethylpyrimidin-4-amine
SMILESCCNc1cc(CC)nc(-c2ccc(Br)cn2)n1
InChIInChI=1S/C13H15BrN4/c1-3-10-7-12(15-4-2)18-13(17-10)11-6-5-9(14)8-16-11/h5-8H,3-4H2,1-2H3,(H,15,17,18)
InChIKeyHTJJBVCYTOPMLJ-UHFFFAOYSA-N
XLogP3.30
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(5-methyl-2-pyridinyl)-6-propylpyrimidin-4-amine
CID 81312552
2-(5-bromothiophen-2-yl)-N,6-diethylpyrimidin-4-amine
CID 62203466
N,6-diethyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine
CID 55220926
2-(5-bromofuran-2-yl)-N,6-diethylpyrimidin-4-amine
CID 62202951
2-(3-bromofuran-2-yl)-N,6-diethylpyrimidin-4-amine
CID 106889189
2-(3-bromo-4-fluorophenyl)-N,6-diethylpyrimidin-4-amine
CID 82800968
2-(5-bromo-2-methoxyphenyl)-N-ethyl-6-propylpyrimidin-4-amine
CID 63479481
N-ethyl-2-(5-fluoro-2-pyridinyl)-6-methylpyrimidin-4-amine
CID 79718153
N,6-diethyl-2-(5-ethylfuran-2-yl)pyrimidin-4-amine
CID 62346694
2-(5-bromo-2-methoxyphenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 62320244
N,6-diethyl-2-methylpyrimidin-4-amine
CID 62191281
N,6-diethyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 63479154

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-N,6-diethylpyrimidin-4-amine?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-N,6-diethylpyrimidin-4-amine (CID 113394009) is 2-(5-bromo-2-pyridinyl)-N,6-diethylpyrimidin-4-amine.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-N,6-diethylpyrimidin-4-amine?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-N,6-diethylpyrimidin-4-amine is CCNc1cc(CC)nc(-c2ccc(Br)cn2)n1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-N,6-diethylpyrimidin-4-amine?
The InChIKey is HTJJBVCYTOPMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4/c1-3-10-7-12(15-4-2)18-13(17-10)11-6-5-9(14)8-16-11/h5-8H,3-4H2,1-2H3,(H,15,17,18).
What are the key properties of 2-(5-bromo-2-pyridinyl)-N,6-diethylpyrimidin-4-amine?
2-(5-bromo-2-pyridinyl)-N,6-diethylpyrimidin-4-amine has a molecular weight of 307.19 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-N,6-diethylpyrimidin-4-amine is sourced from PubChem (CID 113394009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).