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

C15H26BrN3O — CID 116503066

IUPAC5-bromo-2-(1-methoxypropan-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(C)COC)nc(CC(C)C)c1Br
InChIInChI=1S/C15H26BrN3O/c1-6-7-17-15-13(16)12(8-10(2)3)18-14(19-15)11(4)9-20-5/h10-11H,6-9H2,1-5H3,(H,17,18,19)
InChIKeyRCIQQOLGIFXVFL-UHFFFAOYSA-N
MW344.30 g/mol
LogP4.01
Rot. Bonds8

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

5-bromo-2-(1-methoxypropan-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine (PubChem CID 116503066) has the molecular formula C15H26BrN3O and a molecular weight of 344.30 g/mol. Its IUPAC name is 5-bromo-2-(1-methoxypropan-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(1-methoxypropan-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
PubChem CID116503066
Molecular FormulaC15H26BrN3O
Molecular Weight344.30 g/mol
Exact Mass343.13
IUPAC Name5-bromo-2-(1-methoxypropan-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(C)COC)nc(CC(C)C)c1Br
InChIInChI=1S/C15H26BrN3O/c1-6-7-17-15-13(16)12(8-10(2)3)18-14(19-15)11(4)9-20-5/h10-11H,6-9H2,1-5H3,(H,17,18,19)
InChIKeyRCIQQOLGIFXVFL-UHFFFAOYSA-N
XLogP4.01
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(1-methoxy-2-methylpropyl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 116730006
5-bromo-6-tert-butyl-2-(1-methoxypropan-2-yl)-N-propylpyrimidin-4-amine
CID 116503025
5-bromo-2-[cyclopropyl(methoxy)methyl]-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 116730005
5-iodo-2-(1-methoxypropan-2-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 116503015
5-bromo-6-ethyl-2-(1-methoxy-2,2-dimethylpropyl)-N-propylpyrimidin-4-amine
CID 116729574
5-bromo-2-butan-2-yl-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66299335
5-bromo-2-(3-bromothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 115381241
5-bromo-2-(1-methylsulfonylethyl)-N,6-dipropylpyrimidin-4-amine
CID 116633228
6-cyclopentyl-5-iodo-2-(1-methoxypropan-2-yl)-N-propylpyrimidin-4-amine
CID 116503075
5-iodo-6-(2-methylpropyl)-2-(1-methylsulfonylethyl)-N-propylpyrimidin-4-amine
CID 116633286
5-bromo-2-butan-2-yl-6-phenyl-N-propylpyrimidin-4-amine
CID 66292295
5-bromo-2-(2-methoxypropyl)-6-methyl-N-propylpyrimidin-4-amine
CID 113391676

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-methoxypropan-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(1-methoxypropan-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine (CID 116503066) is 5-bromo-2-(1-methoxypropan-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(1-methoxypropan-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(1-methoxypropan-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine is CCCNc1nc(C(C)COC)nc(CC(C)C)c1Br.
What is the InChIKey of 5-bromo-2-(1-methoxypropan-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine?
The InChIKey is RCIQQOLGIFXVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrN3O/c1-6-7-17-15-13(16)12(8-10(2)3)18-14(19-15)11(4)9-20-5/h10-11H,6-9H2,1-5H3,(H,17,18,19).
What are the key properties of 5-bromo-2-(1-methoxypropan-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine?
5-bromo-2-(1-methoxypropan-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine has a molecular weight of 344.30 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-methoxypropan-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 116503066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).