5-bromo-6-ethyl-2-(1-methoxy-2,2-dimethylpropyl)-N-propylpyrimidin-4-amine

C15H26BrN3O — CID 116729574

IUPAC5-bromo-6-ethyl-2-(1-methoxy-2,2-dimethylpropyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(OC)C(C)(C)C)nc(CC)c1Br
InChIInChI=1S/C15H26BrN3O/c1-7-9-17-13-11(16)10(8-2)18-14(19-13)12(20-6)15(3,4)5/h12H,7-9H2,1-6H3,(H,17,18,19)
InChIKeyPAPHEGCZYSVOQT-UHFFFAOYSA-N
MW344.30 g/mol
LogP4.36
Rot. Bonds6

About 5-bromo-6-ethyl-2-(1-methoxy-2,2-dimethylpropyl)-N-propylpyrimidin-4-amine

5-bromo-6-ethyl-2-(1-methoxy-2,2-dimethylpropyl)-N-propylpyrimidin-4-amine (PubChem CID 116729574) has the molecular formula C15H26BrN3O and a molecular weight of 344.30 g/mol. Its IUPAC name is 5-bromo-6-ethyl-2-(1-methoxy-2,2-dimethylpropyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-ethyl-2-(1-methoxy-2,2-dimethylpropyl)-N-propylpyrimidin-4-amine
PubChem CID116729574
Molecular FormulaC15H26BrN3O
Molecular Weight344.30 g/mol
Exact Mass343.13
IUPAC Name5-bromo-6-ethyl-2-(1-methoxy-2,2-dimethylpropyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(OC)C(C)(C)C)nc(CC)c1Br
InChIInChI=1S/C15H26BrN3O/c1-7-9-17-13-11(16)10(8-2)18-14(19-13)12(20-6)15(3,4)5/h12H,7-9H2,1-6H3,(H,17,18,19)
InChIKeyPAPHEGCZYSVOQT-UHFFFAOYSA-N
XLogP4.36
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-ethyl-2-(1-methoxy-2,2-dimethylpropyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 116729723
5-bromo-2-(1-methoxy-2,2-dimethylpropyl)-N-propylpyrimidin-4-amine
CID 116729820
5-bromo-2-(1-methoxy-2-methylpropyl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 116730006
5-iodo-2-(1-methoxy-2,2-dimethylpropyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 116729693
5-bromo-2-(1-methoxypropan-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 116503066
2-(1-methoxy-2,2-dimethylpropyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 116728436
5-bromo-2-[cyclopropyl(methoxy)methyl]-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 116730005
5-bromo-6-tert-butyl-2-(1-methoxypropan-2-yl)-N-propylpyrimidin-4-amine
CID 116503025
5-bromo-2-(1-methylsulfonylethyl)-N,6-dipropylpyrimidin-4-amine
CID 116633228
5-bromo-6-ethyl-N-propyl-2-pyrimidin-2-ylpyrimidin-4-amine
CID 66299847
5-bromo-6-ethyl-2-(2-methoxyphenyl)-N-propylpyrimidin-4-amine
CID 66301030
2-(1-ethoxy-2,2-dimethylpropyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
CID 116729248

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-ethyl-2-(1-methoxy-2,2-dimethylpropyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-ethyl-2-(1-methoxy-2,2-dimethylpropyl)-N-propylpyrimidin-4-amine (CID 116729574) is 5-bromo-6-ethyl-2-(1-methoxy-2,2-dimethylpropyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-ethyl-2-(1-methoxy-2,2-dimethylpropyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-ethyl-2-(1-methoxy-2,2-dimethylpropyl)-N-propylpyrimidin-4-amine is CCCNc1nc(C(OC)C(C)(C)C)nc(CC)c1Br.
What is the InChIKey of 5-bromo-6-ethyl-2-(1-methoxy-2,2-dimethylpropyl)-N-propylpyrimidin-4-amine?
The InChIKey is PAPHEGCZYSVOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrN3O/c1-7-9-17-13-11(16)10(8-2)18-14(19-13)12(20-6)15(3,4)5/h12H,7-9H2,1-6H3,(H,17,18,19).
What are the key properties of 5-bromo-6-ethyl-2-(1-methoxy-2,2-dimethylpropyl)-N-propylpyrimidin-4-amine?
5-bromo-6-ethyl-2-(1-methoxy-2,2-dimethylpropyl)-N-propylpyrimidin-4-amine has a molecular weight of 344.30 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-ethyl-2-(1-methoxy-2,2-dimethylpropyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 116729574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).