5-bromo-6-tert-butyl-2-(1-methoxypropan-2-yl)-N-propylpyrimidin-4-amine

C15H26BrN3O — CID 116503025

IUPAC5-bromo-6-tert-butyl-2-(1-methoxypropan-2-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(C)COC)nc(C(C)(C)C)c1Br
InChIInChI=1S/C15H26BrN3O/c1-7-8-17-14-11(16)12(15(3,4)5)18-13(19-14)10(2)9-20-6/h10H,7-9H2,1-6H3,(H,17,18,19)
InChIKeyGEFZIJWGACSTKL-UHFFFAOYSA-N
MW344.30 g/mol
LogP4.11
Rot. Bonds6

About 5-bromo-6-tert-butyl-2-(1-methoxypropan-2-yl)-N-propylpyrimidin-4-amine

5-bromo-6-tert-butyl-2-(1-methoxypropan-2-yl)-N-propylpyrimidin-4-amine (PubChem CID 116503025) has the molecular formula C15H26BrN3O and a molecular weight of 344.30 g/mol. Its IUPAC name is 5-bromo-6-tert-butyl-2-(1-methoxypropan-2-yl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-tert-butyl-2-(1-methoxypropan-2-yl)-N-propylpyrimidin-4-amine
PubChem CID116503025
Molecular FormulaC15H26BrN3O
Molecular Weight344.30 g/mol
Exact Mass343.13
IUPAC Name5-bromo-6-tert-butyl-2-(1-methoxypropan-2-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(C)COC)nc(C(C)(C)C)c1Br
InChIInChI=1S/C15H26BrN3O/c1-7-8-17-14-11(16)12(15(3,4)5)18-13(19-14)10(2)9-20-6/h10H,7-9H2,1-6H3,(H,17,18,19)
InChIKeyGEFZIJWGACSTKL-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(1-methoxypropan-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 116503066
5-bromo-2,6-ditert-butyl-N-propylpyrimidin-4-amine
CID 66305031
5-iodo-2-(1-methoxypropan-2-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 116503015
5-bromo-4-tert-butyl-6-chloro-2-(1-methoxypropan-2-yl)pyrimidine
CID 116502371
methyl 5-bromo-4-tert-butyl-6-(propylamino)pyrimidine-2-carboxylate
CID 66305837
5-bromo-6-tert-butyl-2-(2-ethoxyethyl)-N-propylpyrimidin-4-amine
CID 106815296
5-bromo-2-butan-2-yl-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66299335
5-bromo-6-tert-butyl-2-(2-methylcyclopropyl)-N-propylpyrimidin-4-amine
CID 66305830
6-cyclopentyl-5-iodo-2-(1-methoxypropan-2-yl)-N-propylpyrimidin-4-amine
CID 116503075
5-bromo-6-tert-butyl-2-(1-methylpyrazol-3-yl)-N-propylpyrimidin-4-amine
CID 66305428
5-bromo-6-ethyl-2-(1-methoxy-2,2-dimethylpropyl)-N-propylpyrimidin-4-amine
CID 116729574
5-bromo-2-(methoxymethyl)-6-methyl-N-propylpyrimidin-4-amine
CID 66306879

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-tert-butyl-2-(1-methoxypropan-2-yl)-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-tert-butyl-2-(1-methoxypropan-2-yl)-N-propylpyrimidin-4-amine (CID 116503025) is 5-bromo-6-tert-butyl-2-(1-methoxypropan-2-yl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-tert-butyl-2-(1-methoxypropan-2-yl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-tert-butyl-2-(1-methoxypropan-2-yl)-N-propylpyrimidin-4-amine is CCCNc1nc(C(C)COC)nc(C(C)(C)C)c1Br.
What is the InChIKey of 5-bromo-6-tert-butyl-2-(1-methoxypropan-2-yl)-N-propylpyrimidin-4-amine?
The InChIKey is GEFZIJWGACSTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrN3O/c1-7-8-17-14-11(16)12(15(3,4)5)18-13(19-14)10(2)9-20-6/h10H,7-9H2,1-6H3,(H,17,18,19).
What are the key properties of 5-bromo-6-tert-butyl-2-(1-methoxypropan-2-yl)-N-propylpyrimidin-4-amine?
5-bromo-6-tert-butyl-2-(1-methoxypropan-2-yl)-N-propylpyrimidin-4-amine has a molecular weight of 344.30 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-tert-butyl-2-(1-methoxypropan-2-yl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 116503025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).