5-bromo-N-ethyl-6-propyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine

C15H22BrN5 — CID 114557383

IUPAC5-bromo-N-ethyl-6-propyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine
SMILESCCCc1nc(-c2ccnn2CCC)nc(NCC)c1Br
InChIInChI=1S/C15H22BrN5/c1-4-7-11-13(16)15(17-6-3)20-14(19-11)12-8-9-18-21(12)10-5-2/h8-9H,4-7,10H2,1-3H3,(H,17,19,20)
InChIKeyQHYJDXGGSLXQTJ-UHFFFAOYSA-N
MW352.28 g/mol
LogP3.90
Rot. Bonds7

About 5-bromo-N-ethyl-6-propyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine

5-bromo-N-ethyl-6-propyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine (PubChem CID 114557383) has the molecular formula C15H22BrN5 and a molecular weight of 352.28 g/mol. Its IUPAC name is 5-bromo-N-ethyl-6-propyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-6-propyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine
PubChem CID114557383
Molecular FormulaC15H22BrN5
Molecular Weight352.28 g/mol
Exact Mass351.11
IUPAC Name5-bromo-N-ethyl-6-propyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine
SMILESCCCc1nc(-c2ccnn2CCC)nc(NCC)c1Br
InChIInChI=1S/C15H22BrN5/c1-4-7-11-13(16)15(17-6-3)20-14(19-11)12-8-9-18-21(12)10-5-2/h8-9H,4-7,10H2,1-3H3,(H,17,19,20)
InChIKeyQHYJDXGGSLXQTJ-UHFFFAOYSA-N
XLogP3.90
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N,6-dimethyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine
CID 114557366
5-bromo-N-ethyl-2-(5-ethylfuran-2-yl)-6-propylpyrimidin-4-amine
CID 66298069
5-bromo-2-(2-chlorophenyl)-N-ethyl-6-propylpyrimidin-4-amine
CID 66306558
5,6-dimethyl-N-propyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine
CID 114557302
5-bromo-2-(3-cyclopropylimidazol-4-yl)-N-ethyl-6-propylpyrimidin-4-amine
CID 66295755
5-bromo-N-ethyl-6-propyl-2-pyrazin-2-ylpyrimidin-4-amine
CID 66305962
5-bromo-2-(3-methylimidazol-4-yl)-N,6-dipropylpyrimidin-4-amine
CID 66296529
5-bromo-2-(4-chloro-3-fluorophenyl)-N-ethyl-6-propylpyrimidin-4-amine
CID 66297874
5-bromo-2-(2-ethylpyrazol-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 114557431
5-bromo-2-(4-bromothiophen-2-yl)-N-ethyl-6-propylpyrimidin-4-amine
CID 66305762
5-bromo-2-(2-bromo-4-fluorophenyl)-N-ethyl-6-propylpyrimidin-4-amine
CID 107281439
5-bromo-N-ethyl-2-(3-methoxyphenyl)-6-propylpyrimidin-4-amine
CID 66307154

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-6-propyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-ethyl-6-propyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine (CID 114557383) is 5-bromo-N-ethyl-6-propyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-ethyl-6-propyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-ethyl-6-propyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine is CCCc1nc(-c2ccnn2CCC)nc(NCC)c1Br.
What is the InChIKey of 5-bromo-N-ethyl-6-propyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine?
The InChIKey is QHYJDXGGSLXQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN5/c1-4-7-11-13(16)15(17-6-3)20-14(19-11)12-8-9-18-21(12)10-5-2/h8-9H,4-7,10H2,1-3H3,(H,17,19,20).
What are the key properties of 5-bromo-N-ethyl-6-propyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine?
5-bromo-N-ethyl-6-propyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 352.28 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-6-propyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 114557383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).