5-bromo-4-methoxy-N-(1-thiophen-2-ylpropyl)pyrimidin-2-amine

C12H14BrN3OS — CID 102809527

IUPAC5-bromo-4-methoxy-N-(1-thiophen-2-ylpropyl)pyrimidin-2-amine
SMILESCCC(Nc1ncc(Br)c(OC)n1)c1cccs1
InChIInChI=1S/C12H14BrN3OS/c1-3-9(10-5-4-6-18-10)15-12-14-7-8(13)11(16-12)17-2/h4-7,9H,3H2,1-2H3,(H,14,15,16)
InChIKeyYKNLOLBEVGBNJS-UHFFFAOYSA-N
MW328.24 g/mol
LogP3.87
Rot. Bonds5

About 5-bromo-4-methoxy-N-(1-thiophen-2-ylpropyl)pyrimidin-2-amine

5-bromo-4-methoxy-N-(1-thiophen-2-ylpropyl)pyrimidin-2-amine (PubChem CID 102809527) has the molecular formula C12H14BrN3OS and a molecular weight of 328.24 g/mol. Its IUPAC name is 5-bromo-4-methoxy-N-(1-thiophen-2-ylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-methoxy-N-(1-thiophen-2-ylpropyl)pyrimidin-2-amine
PubChem CID102809527
Molecular FormulaC12H14BrN3OS
Molecular Weight328.24 g/mol
Exact Mass327.00
IUPAC Name5-bromo-4-methoxy-N-(1-thiophen-2-ylpropyl)pyrimidin-2-amine
SMILESCCC(Nc1ncc(Br)c(OC)n1)c1cccs1
InChIInChI=1S/C12H14BrN3OS/c1-3-9(10-5-4-6-18-10)15-12-14-7-8(13)11(16-12)17-2/h4-7,9H,3H2,1-2H3,(H,14,15,16)
InChIKeyYKNLOLBEVGBNJS-UHFFFAOYSA-N
XLogP3.87
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-methoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-2-amine
CID 106997660
5-bromo-N-[1-(1H-imidazol-2-yl)propyl]-4-methoxypyrimidin-2-amine
CID 106997925
5-bromo-N-(1-chloropentan-3-yl)-4-methoxypyrimidin-2-amine
CID 106999864
5-bromo-2-N-methyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine
CID 80807318
5-chloro-2-N-methyl-4-N-(1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
CID 80807609
5-methoxy-2-methyl-N-(1-thiophen-2-ylpropyl)pyridin-4-amine
CID 106660407
5-bromo-4-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidin-2-amine
CID 103745877
2-N-ethyl-5-fluoro-4-N-(1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
CID 80807510
N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43206362
4-ethoxy-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-2-amine
CID 112637254
2,4-dibromo-N-(1-thiophen-2-ylpropyl)aniline
CID 43683003
5-bromo-2-N-ethyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
CID 80807669

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxy-N-(1-thiophen-2-ylpropyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-methoxy-N-(1-thiophen-2-ylpropyl)pyrimidin-2-amine (CID 102809527) is 5-bromo-4-methoxy-N-(1-thiophen-2-ylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-methoxy-N-(1-thiophen-2-ylpropyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-methoxy-N-(1-thiophen-2-ylpropyl)pyrimidin-2-amine is CCC(Nc1ncc(Br)c(OC)n1)c1cccs1.
What is the InChIKey of 5-bromo-4-methoxy-N-(1-thiophen-2-ylpropyl)pyrimidin-2-amine?
The InChIKey is YKNLOLBEVGBNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3OS/c1-3-9(10-5-4-6-18-10)15-12-14-7-8(13)11(16-12)17-2/h4-7,9H,3H2,1-2H3,(H,14,15,16).
What are the key properties of 5-bromo-4-methoxy-N-(1-thiophen-2-ylpropyl)pyrimidin-2-amine?
5-bromo-4-methoxy-N-(1-thiophen-2-ylpropyl)pyrimidin-2-amine has a molecular weight of 328.24 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methoxy-N-(1-thiophen-2-ylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 102809527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).